![Benzoic acid, 4-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]- structure](/static/products/910/91093-56-0.png)
Benzoic acid, 4-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]-
TL;DR: Benzoic acid, 4-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]- (CAS 91093-56-0) is a chemical compound with molecular formula C11H9N3O3 and molecular weight 231.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-oxo-1H-pyrimidin-6-yl)amino]benzoic acid
Also Known As: 4-[(2-oxo-1H-pyrimidin-6-yl)amino]benzoic acid, Benzoic acid, 4-[(2,3-dihydro-2-oxo-4-pyrimidinyl)amino]-, 4-[(2-Oxo-1,2-dihydro-4-pyrimidinyl)amino]benzoic acid, 4-[(2-Oxo-1,2-dihydro-4-pyrimidinyl)amino]benzoic acid #, Benzoic acid, 4-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]-
| Molecular Formula | C11H9N3O3 |
|---|---|
| Molecular Weight | 231.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 90.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.06439 |
| Heavy Atoms | 17 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 91093-56-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NC2=CC=NC(=O)N2 |
| InChIKey | HAWKRBCTLSYJEC-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]- (CAS 91093-56-0), with molecular formula C11H9N3O3 and molecular weight 231.06 g/mol. IUPAC: 4-[(2-oxo-1H-pyrimidin-6-yl)amino]benzoic acid.
Chemical Property Profile of Benzoic acid, 4-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]-
Property Insights of Benzoic acid, 4-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]-. The TPSA of 90.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]-. Following Lipinski's Rule of Five, Benzoic acid, 4-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]- has 3 hydrogen bond donor(s) and 4 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-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]-?
The CAS number of Benzoic acid, 4-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]- is 91093-56-0.
What is the molecular formula of Benzoic acid, 4-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]-?
The molecular formula of Benzoic acid, 4-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]- is C11H9N3O3.
What is the molecular weight of Benzoic acid, 4-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]-?
The molecular weight of Benzoic acid, 4-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]- is 231.06 g/mol.
Where can I buy Benzoic acid, 4-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]-?
You can request a quote for Benzoic acid, 4-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]- 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-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.