BAS 00853197
TL;DR: BAS 00853197 (CAS 325472-40-0) is a chemical compound with molecular formula C18H14N2O5S and molecular weight 370.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzene-1,3-dicarboxylic acid
Also Known As: BAS 00853197, BIM-0029672.P001, AB00095187-01, 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzene-1,3-dicarboxylic acid, 4-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)isophthalic acid
| Molecular Formula | C18H14N2O5S |
|---|---|
| Molecular Weight | 370.06 g/mol |
| LogP | 3.14728 |
| Topological Polar Surface Area | 127.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.06235 |
| Heavy Atoms | 26 |
| Complexity | 970.6916 |
Chemical Identifiers
| CAS Number | 325472-40-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=C(C=C3)C(=O)O)C(=O)O)C#N |
Product Overview
BAS 00853197 (CAS 325472-40-0), with molecular formula C18H14N2O5S and molecular weight 370.06 g/mol. IUPAC: 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzene-1,3-dicarboxylic acid.
Chemical Property Profile of BAS 00853197
Property Insights of BAS 00853197
The XLogP value of 3.14728 indicates that BAS 00853197 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.49 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00853197. Following Lipinski's Rule of Five, BAS 00853197 has 3 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 BAS 00853197?
The CAS number of BAS 00853197 is 325472-40-0.
What is the molecular formula of BAS 00853197?
The molecular formula of BAS 00853197 is C18H14N2O5S.
What is the molecular weight of BAS 00853197?
The molecular weight of BAS 00853197 is 370.06 g/mol.
Where can I buy BAS 00853197?
You can request a quote for BAS 00853197 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00853197?
Yes, KEHONG BIO provides custom synthesis services for BAS 00853197 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.