ChemDiv3_000505
TL;DR: ChemDiv3_000505 (CAS 60442-48-0) is a chemical compound with molecular formula C19H19NO5S and molecular weight 373.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid
Also Known As: ChemDiv3_000505, BAS 00161544, AB00073949-01, AH-034/07379022, 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid
| Molecular Formula | C19H19NO5S |
|---|---|
| Molecular Weight | 373.10 g/mol |
| LogP | 3.7541 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.0984 |
| Heavy Atoms | 26 |
| Complexity | 870.8096 |
Chemical Identifiers
| CAS Number | 60442-48-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3C(=O)O |
Product Overview
ChemDiv3_000505 (CAS 60442-48-0), with molecular formula C19H19NO5S and molecular weight 373.10 g/mol. IUPAC: 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid.
Chemical Property Profile of ChemDiv3_000505
Property Insights of ChemDiv3_000505
The XLogP value of 3.7541 indicates that ChemDiv3_000505 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_000505. Following Lipinski's Rule of Five, ChemDiv3_000505 has 2 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 ChemDiv3_000505?
The CAS number of ChemDiv3_000505 is 60442-48-0.
What is the molecular formula of ChemDiv3_000505?
The molecular formula of ChemDiv3_000505 is C19H19NO5S.
What is the molecular weight of ChemDiv3_000505?
The molecular weight of ChemDiv3_000505 is 373.10 g/mol.
Where can I buy ChemDiv3_000505?
You can request a quote for ChemDiv3_000505 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_000505?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_000505 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.