ChemDiv2_005320
TL;DR: ChemDiv2_005320 (CAS 663168-99-8) is a chemical compound with molecular formula C17H14N2O6S and molecular weight 374.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[methyl-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzoic acid
Also Known As: ChemDiv2_005320, CBKinase1_007932, CBKinase1_020332, IDI1_004035, AP-853/42476450
| Molecular Formula | C17H14N2O6S |
|---|---|
| Molecular Weight | 374.06 g/mol |
| LogP | 1.1923 |
| Topological Polar Surface Area | 112.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.05725 |
| Heavy Atoms | 26 |
| Complexity | 1031.0536 |
Chemical Identifiers
| CAS Number | 663168-99-8 |
|---|---|
| SMILES | CN(C1=CC=CC=C1C(=O)O)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
ChemDiv2_005320 (CAS 663168-99-8), with molecular formula C17H14N2O6S and molecular weight 374.06 g/mol. IUPAC: 2-[methyl-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzoic acid.
Chemical Property Profile of ChemDiv2_005320
Property Insights of ChemDiv2_005320
The XLogP value of 1.1923 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_005320. The TPSA of 112.06 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_005320. Following Lipinski's Rule of Five, ChemDiv2_005320 has 1 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 ChemDiv2_005320?
The CAS number of ChemDiv2_005320 is 663168-99-8.
What is the molecular formula of ChemDiv2_005320?
The molecular formula of ChemDiv2_005320 is C17H14N2O6S.
What is the molecular weight of ChemDiv2_005320?
The molecular weight of ChemDiv2_005320 is 374.06 g/mol.
Where can I buy ChemDiv2_005320?
You can request a quote for ChemDiv2_005320 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_005320?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_005320 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.