RefChem:353739
TL;DR: RefChem:353739 (CAS 301319-86-8) is a chemical compound with molecular formula C17H16ClNO3S and molecular weight 349.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00472547, methyl 2-[(4-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, Methyl 2-[(4-chlorobenzoyl)amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, METHYL 2-(4-CHLOROBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, 2-[(4-chlorobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester
| Molecular Formula | C17H16ClNO3S |
|---|---|
| Molecular Weight | 349.05 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.05396 |
| Heavy Atoms | 23 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 301319-86-8 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)Cl |
| InChIKey | IZNUTHLWDUEHJW-UHFFFAOYSA-N |
Product Overview
RefChem:353739 (CAS 301319-86-8), with molecular formula C17H16ClNO3S and molecular weight 349.05 g/mol. IUPAC: methyl 2-[(4-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of RefChem:353739
Property Insights of RefChem:353739
The XLogP value of 5.0 indicates that RefChem:353739 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:353739. Following Lipinski's Rule of Five, RefChem:353739 has 1 hydrogen bond donor(s) and 4 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 RefChem:353739?
The CAS number of RefChem:353739 is 301319-86-8.
What is the molecular formula of RefChem:353739?
The molecular formula of RefChem:353739 is C17H16ClNO3S.
What is the molecular weight of RefChem:353739?
The molecular weight of RefChem:353739 is 349.05 g/mol.
Where can I buy RefChem:353739?
You can request a quote for RefChem:353739 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:353739?
Yes, KEHONG BIO provides custom synthesis services for RefChem:353739 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.