Determine the necessary mass, volume, or concentration for preparing a solution.
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCC1C(=O)N(C2=CN=C(N=C2N1C(C)C)NC3=C(C=C(C=C3)C(=O)O)OC)C |
|---|---|
| IUPAC Name | 4-[[(7R)-7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid |
| InChIKey | QNLSHJVWZNHSED-CQSZACIVSA-N |
| INCHI | 1S/C20H25N5O4/c1-6-14-18(26)24(4)15-10-21-20(23-17(15)25(14)11(2)3)22-13-8-7-12(19(27)28)9-16(13)29-5/h7-11,14H,6H2,1-5H3,(H,27,28)(H,21,22,23)/t14-/m1/s1 |
| Isomeric SMILES | CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C(C)C)NC3=C(C=C(C=C3)C(=O)O)OC)C |
| PubChem CID | 68242571 |
| Molecular Weight | 399.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Molecular Weight | 399.400 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 399.191 Da |
| Monoisotopic Mass | 399.191 Da |
| Topological Polar Surface Area | 108.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 603.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |