ChemDiv3_004679
TL;DR: ChemDiv3_004679 (CAS 684234-16-0) is a chemical compound with molecular formula C20H18N4O4S and molecular weight 410.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate
Also Known As: ChemDiv3_004679, IDI1_022589, BRD-K61156154-001-01-3, methyl 4-({[(6-amino-4-oxo-1-phenyl-1,4-dihydro-2-pyrimidinyl)thio]acetyl}amino)benzoate, methyl 4-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate
| Molecular Formula | C20H18N4O4S |
|---|---|
| Molecular Weight | 410.10 g/mol |
| LogP | 2.3321 |
| Topological Polar Surface Area | 116.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.1049 |
| Heavy Atoms | 29 |
| Complexity | 1081.8854 |
Chemical Identifiers
| CAS Number | 684234-16-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=CC=C3)N |
Product Overview
ChemDiv3_004679 (CAS 684234-16-0), with molecular formula C20H18N4O4S and molecular weight 410.10 g/mol. IUPAC: methyl 4-[[2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate.
Chemical Property Profile of ChemDiv3_004679
Property Insights of ChemDiv3_004679
The XLogP value of 2.3321 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_004679. The TPSA of 116.31 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004679. Following Lipinski's Rule of Five, ChemDiv3_004679 has 2 hydrogen bond donor(s) and 7 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 ChemDiv3_004679?
The CAS number of ChemDiv3_004679 is 684234-16-0.
What is the molecular formula of ChemDiv3_004679?
The molecular formula of ChemDiv3_004679 is C20H18N4O4S.
What is the molecular weight of ChemDiv3_004679?
The molecular weight of ChemDiv3_004679 is 410.10 g/mol.
Where can I buy ChemDiv3_004679?
You can request a quote for ChemDiv3_004679 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004679?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004679 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.