![Benzo[b]thiophene-2-carboxamide, N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4-fluoro- (9CI) structure](/static/products/5886/588673-81-8.webp)
Benzo[b]thiophene-2-carboxamide, N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4-fluoro- (9CI)
TL;DR: Benzo[b]thiophene-2-carboxamide, N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4-fluoro- (9CI) (CAS 588673-81-8) is a chemical compound with molecular formula C18H13ClFNO3S and molecular weight 377.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide
Also Known As: Benzo[b]thiophene-2-carboxamide, N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4-fluoro- (9CI), N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide, Benzo[b]thiophene-2-carboxamide,N-[1- ethyl]-3-chloro-4-fluoro-, N-(1-benzo[1,3]dioxol-5-ylethyl)-3-chloro-4-fluoro-benzothiophene-2-carboxamide, N-(2H-benzo[3,4-d]1,3-dioxolan-5-ylethyl)(3-chloro-4-fluorobenzo[b]thiophen-2- yl)carboxamide
| Molecular Formula | C18H13ClFNO3S |
|---|---|
| Molecular Weight | 377.03 g/mol |
| LogP | 4.9135 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.02887 |
| Heavy Atoms | 25 |
| Complexity | 987.8568 |
Chemical Identifiers
| CAS Number | 588673-81-8 |
|---|---|
| SMILES | CC(C1=CC2=C(C=C1)OCO2)NC(=O)C3=C(C4=C(C=CC=C4S3)F)Cl |
Product Overview
Benzo[b]thiophene-2-carboxamide, N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4-fluoro- (9CI) (CAS 588673-81-8), with molecular formula C18H13ClFNO3S and molecular weight 377.03 g/mol. IUPAC: N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of Benzo[b]thiophene-2-carboxamide, N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4-fluoro- (9CI)
Property Insights of Benzo[b]thiophene-2-carboxamide, N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4-fluoro- (9CI)
The XLogP value of 4.9135 indicates that Benzo[b]thiophene-2-carboxamide, N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4-fluoro- (9CI) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, Benzo[b]thiophene-2-carboxamide, N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4-fluoro- (9CI) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[b]thiophene-2-carboxamide, N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4-fluoro- (9CI) 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 Benzo[b]thiophene-2-carboxamide, N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4-fluoro- (9CI)?
The CAS number of Benzo[b]thiophene-2-carboxamide, N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4-fluoro- (9CI) is 588673-81-8.
What is the molecular formula of Benzo[b]thiophene-2-carboxamide, N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4-fluoro- (9CI)?
The molecular formula of Benzo[b]thiophene-2-carboxamide, N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4-fluoro- (9CI) is C18H13ClFNO3S.
What is the molecular weight of Benzo[b]thiophene-2-carboxamide, N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4-fluoro- (9CI)?
The molecular weight of Benzo[b]thiophene-2-carboxamide, N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4-fluoro- (9CI) is 377.03 g/mol.
Where can I buy Benzo[b]thiophene-2-carboxamide, N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4-fluoro- (9CI)?
You can request a quote for Benzo[b]thiophene-2-carboxamide, N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4-fluoro- (9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[b]thiophene-2-carboxamide, N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4-fluoro- (9CI)?
Yes, KEHONG BIO provides custom synthesis services for Benzo[b]thiophene-2-carboxamide, N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4-fluoro- (9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.