ChemDiv1_002409
TL;DR: ChemDiv1_002409 (CAS 94134-30-2) is a chemical compound with molecular formula C20H18N4O5S and molecular weight 426.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid
Also Known As: ChemDiv1_002409, EINECS 302-798-9, BAS 00803227, 2-(((4-(((4,6-Dimethyl-2-pyrimidinyl)amino)sulphonyl)phenyl)amino)carbonyl)benzoic acid, AF-614/30832043
| Molecular Formula | C20H18N4O5S |
|---|---|
| Molecular Weight | 426.10 g/mol |
| LogP | 2.84474 |
| Topological Polar Surface Area | 138.35 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.0998 |
| Heavy Atoms | 30 |
| Complexity | 1203.9492 |
Chemical Identifiers
| CAS Number | 94134-30-2 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)C |
Product Overview
ChemDiv1_002409 (CAS 94134-30-2), with molecular formula C20H18N4O5S and molecular weight 426.10 g/mol. IUPAC: 2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid.
Chemical Property Profile of ChemDiv1_002409
Property Insights of ChemDiv1_002409
The XLogP value of 2.84474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_002409. The TPSA of 138.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002409. Following Lipinski's Rule of Five, ChemDiv1_002409 has 3 hydrogen bond donor(s) and 6 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 ChemDiv1_002409?
The CAS number of ChemDiv1_002409 is 94134-30-2.
What is the molecular formula of ChemDiv1_002409?
The molecular formula of ChemDiv1_002409 is C20H18N4O5S.
What is the molecular weight of ChemDiv1_002409?
The molecular weight of ChemDiv1_002409 is 426.10 g/mol.
Where can I buy ChemDiv1_002409?
You can request a quote for ChemDiv1_002409 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002409?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002409 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.