![4-[(2-amino-6-oxo-1H-pyrimidin-5-yl)carbamothioylamino]benzoic acid structure](/static/products/6943/6943-22-2.webp)
4-[(2-amino-6-oxo-1H-pyrimidin-5-yl)carbamothioylamino]benzoic acid
TL;DR: 4-[(2-amino-6-oxo-1H-pyrimidin-5-yl)carbamothioylamino]benzoic acid (CAS 6943-22-2) is a chemical compound with molecular formula C12H11N5O3S and molecular weight 305.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-amino-6-oxo-1H-pyrimidin-5-yl)carbamothioylamino]benzoic acid
Also Known As: 4-[(2-amino-6-oxo-1H-pyrimidin-5-yl)carbamothioylamino]benzoic acid, 4-[(2-amino-6-oxo-1H-pyrimidin-5-yl)carbamothioylamino]benzo, 4-{[(2-Amino-6-oxo-1,6-dihydropyrimidin-5-yl)carbamothioyl]amino}benzoic acid
| Molecular Formula | C12H11N5O3S |
|---|---|
| Molecular Weight | 305.06 g/mol |
| LogP | 0.8592 |
| Topological Polar Surface Area | 133.13 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.05826 |
| Heavy Atoms | 21 |
| Complexity | 741.3033 |
Chemical Identifiers
| CAS Number | 6943-22-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NC(=S)NC2=CN=C(NC2=O)N |
Product Overview
4-[(2-amino-6-oxo-1H-pyrimidin-5-yl)carbamothioylamino]benzoic acid (CAS 6943-22-2), with molecular formula C12H11N5O3S and molecular weight 305.06 g/mol. IUPAC: 4-[(2-amino-6-oxo-1H-pyrimidin-5-yl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 4-[(2-amino-6-oxo-1H-pyrimidin-5-yl)carbamothioylamino]benzoic acid
Property Insights of 4-[(2-amino-6-oxo-1H-pyrimidin-5-yl)carbamothioylamino]benzoic acid
The XLogP value of 0.8592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-amino-6-oxo-1H-pyrimidin-5-yl)carbamothioylamino]benzoic acid. The TPSA of 133.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-amino-6-oxo-1H-pyrimidin-5-yl)carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 4-[(2-amino-6-oxo-1H-pyrimidin-5-yl)carbamothioylamino]benzoic acid has 5 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 4-[(2-amino-6-oxo-1H-pyrimidin-5-yl)carbamothioylamino]benzoic acid?
The CAS number of 4-[(2-amino-6-oxo-1H-pyrimidin-5-yl)carbamothioylamino]benzoic acid is 6943-22-2.
What is the molecular formula of 4-[(2-amino-6-oxo-1H-pyrimidin-5-yl)carbamothioylamino]benzoic acid?
The molecular formula of 4-[(2-amino-6-oxo-1H-pyrimidin-5-yl)carbamothioylamino]benzoic acid is C12H11N5O3S.
What is the molecular weight of 4-[(2-amino-6-oxo-1H-pyrimidin-5-yl)carbamothioylamino]benzoic acid?
The molecular weight of 4-[(2-amino-6-oxo-1H-pyrimidin-5-yl)carbamothioylamino]benzoic acid is 305.06 g/mol.
Where can I buy 4-[(2-amino-6-oxo-1H-pyrimidin-5-yl)carbamothioylamino]benzoic acid?
You can request a quote for 4-[(2-amino-6-oxo-1H-pyrimidin-5-yl)carbamothioylamino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2-amino-6-oxo-1H-pyrimidin-5-yl)carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-amino-6-oxo-1H-pyrimidin-5-yl)carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.