Benzoic acid, 4-((2-amino-1,4-dihydro-6-hydroxy-4-oxo-5-pyrimidinyl)methyl)-
TL;DR: Benzoic acid, 4-((2-amino-1,4-dihydro-6-hydroxy-4-oxo-5-pyrimidinyl)methyl)- (CAS 80305-92-6) is a chemical compound with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)methyl]benzoic acid
Also Known As: BENZOIC ACID, 4-((2-AMINO-1,4-DIHYDRO-6-HYDROXY-4-OXO-5-PYRIMIDINYL)METHYL)-, 4-((2-Amino-1,4-dihydro-6-hydroxy-4-oxo-5-pyrimidinyl)methyl)benzoic acid, 4-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)methyl]benzoic acid, 4-[(2-Amino-4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)methyl]benzoic acid, BRN 4701200
| Molecular Formula | C12H11N3O4 |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.07495 |
| Heavy Atoms | 19 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 80305-92-6 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=C(N=C(NC2=O)N)O)C(=O)O |
| InChIKey | WUQWKRUMGKYJAY-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-((2-amino-1,4-dihydro-6-hydroxy-4-oxo-5-pyrimidinyl)methyl)- (CAS 80305-92-6), with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol. IUPAC: 4-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)methyl]benzoic acid.
Chemical Property Profile of Benzoic acid, 4-((2-amino-1,4-dihydro-6-hydroxy-4-oxo-5-pyrimidinyl)methyl)-
Property Insights of Benzoic acid, 4-((2-amino-1,4-dihydro-6-hydroxy-4-oxo-5-pyrimidinyl)methyl)-
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-((2-amino-1,4-dihydro-6-hydroxy-4-oxo-5-pyrimidinyl)methyl)-. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-((2-amino-1,4-dihydro-6-hydroxy-4-oxo-5-pyrimidinyl)methyl)-. Following Lipinski's Rule of Five, Benzoic acid, 4-((2-amino-1,4-dihydro-6-hydroxy-4-oxo-5-pyrimidinyl)methyl)- has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-((2-amino-1,4-dihydro-6-hydroxy-4-oxo-5-pyrimidinyl)methyl)-?
The CAS number of Benzoic acid, 4-((2-amino-1,4-dihydro-6-hydroxy-4-oxo-5-pyrimidinyl)methyl)- is 80305-92-6.
What is the molecular formula of Benzoic acid, 4-((2-amino-1,4-dihydro-6-hydroxy-4-oxo-5-pyrimidinyl)methyl)-?
The molecular formula of Benzoic acid, 4-((2-amino-1,4-dihydro-6-hydroxy-4-oxo-5-pyrimidinyl)methyl)- is C12H11N3O4.
What is the molecular weight of Benzoic acid, 4-((2-amino-1,4-dihydro-6-hydroxy-4-oxo-5-pyrimidinyl)methyl)-?
The molecular weight of Benzoic acid, 4-((2-amino-1,4-dihydro-6-hydroxy-4-oxo-5-pyrimidinyl)methyl)- is 261.07 g/mol.
Where can I buy Benzoic acid, 4-((2-amino-1,4-dihydro-6-hydroxy-4-oxo-5-pyrimidinyl)methyl)-?
You can request a quote for Benzoic acid, 4-((2-amino-1,4-dihydro-6-hydroxy-4-oxo-5-pyrimidinyl)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-((2-amino-1,4-dihydro-6-hydroxy-4-oxo-5-pyrimidinyl)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-((2-amino-1,4-dihydro-6-hydroxy-4-oxo-5-pyrimidinyl)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.