![Benzo[b]thiophene-2-carboxamide, 3-chloro-4-fluoro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)- (9CI) structure](/static/products/5886/588673-78-3.webp)
Benzo[b]thiophene-2-carboxamide, 3-chloro-4-fluoro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)- (9CI)
TL;DR: Benzo[b]thiophene-2-carboxamide, 3-chloro-4-fluoro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)- (9CI) (CAS 588673-78-3) is a chemical compound with molecular formula C20H21ClFNOS and molecular weight 377.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-adamantylmethyl)-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide
Also Known As: Benzo[b]thiophene-2-carboxamide, 3-chloro-4-fluoro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)- (9CI), N-(1-adamantylmethyl)-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide, N-(1-adamantylmethyl)-3-chloro-4-fluoro-benzothiophene-2-carboxamide, N-(adamantanylmethyl)(3-chloro-4-fluorobenzo[b]thiophen-2-yl)carboxamide, 3-chloro-4-fluoro-N-(tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl)-1-benzothiophene-2-carboxamide
| Molecular Formula | C20H21ClFNOS |
|---|---|
| Molecular Weight | 377.10 g/mol |
| LogP | 5.64 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.10165 |
| Heavy Atoms | 25 |
| Complexity | 825.45917 |
Chemical Identifiers
| CAS Number | 588673-78-3 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C5=C(C=CC=C5S4)F)Cl |
Product Overview
Benzo[b]thiophene-2-carboxamide, 3-chloro-4-fluoro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)- (9CI) (CAS 588673-78-3), with molecular formula C20H21ClFNOS and molecular weight 377.10 g/mol. IUPAC: N-(1-adamantylmethyl)-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of Benzo[b]thiophene-2-carboxamide, 3-chloro-4-fluoro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)- (9CI)
Property Insights of Benzo[b]thiophene-2-carboxamide, 3-chloro-4-fluoro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)- (9CI)
The XLogP value of 5.64 indicates that Benzo[b]thiophene-2-carboxamide, 3-chloro-4-fluoro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)- (9CI) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, Benzo[b]thiophene-2-carboxamide, 3-chloro-4-fluoro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)- (9CI) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[b]thiophene-2-carboxamide, 3-chloro-4-fluoro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)- (9CI) has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzo[b]thiophene-2-carboxamide, 3-chloro-4-fluoro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)- (9CI)?
The CAS number of Benzo[b]thiophene-2-carboxamide, 3-chloro-4-fluoro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)- (9CI) is 588673-78-3.
What is the molecular formula of Benzo[b]thiophene-2-carboxamide, 3-chloro-4-fluoro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)- (9CI)?
The molecular formula of Benzo[b]thiophene-2-carboxamide, 3-chloro-4-fluoro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)- (9CI) is C20H21ClFNOS.
What is the molecular weight of Benzo[b]thiophene-2-carboxamide, 3-chloro-4-fluoro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)- (9CI)?
The molecular weight of Benzo[b]thiophene-2-carboxamide, 3-chloro-4-fluoro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)- (9CI) is 377.10 g/mol.
Where can I buy Benzo[b]thiophene-2-carboxamide, 3-chloro-4-fluoro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)- (9CI)?
You can request a quote for Benzo[b]thiophene-2-carboxamide, 3-chloro-4-fluoro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)- (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, 3-chloro-4-fluoro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)- (9CI)?
Yes, KEHONG BIO provides custom synthesis services for Benzo[b]thiophene-2-carboxamide, 3-chloro-4-fluoro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)- (9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.