3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide (CAS 445015-64-5) is a chemical compound with molecular formula C14H16ClNOS and molecular weight 281.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-6-ethyl-N-(propan-2-yl)-1-benzothiophene-2-carboxamide, 3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide, 3-chloro-6-ethyl-N-propan-2-yl-benzothiophene-2-carboxamide, (3-chloro-6-ethylbenzo[b]thiophen-2-yl)-N-(methylethyl)carboxamide, 3-CHLORO-6-ETHYL-N-ISOPROPYL-1-BENZOTHIOPHENE-2-CARBOXAMIDE
| Molecular Formula | C14H16ClNOS |
|---|---|
| Molecular Weight | 281.06 g/mol |
| LogP | 4.2553 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.06412 |
| Heavy Atoms | 18 |
| Complexity | 588.7367 |
Chemical Identifiers
| CAS Number | 445015-64-5 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(C)C)Cl |
Product Overview
3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide (CAS 445015-64-5), with molecular formula C14H16ClNOS and molecular weight 281.06 g/mol. IUPAC: 3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide
The XLogP value of 4.2553 indicates that 3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 2 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 3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide is 445015-64-5.
What is the molecular formula of 3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide is C14H16ClNOS.
What is the molecular weight of 3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide is 281.06 g/mol.
Where can I buy 3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.