3-Chlorobenzo(b)thiophene-2-carbonyl chloride
TL;DR: 3-Chlorobenzo(b)thiophene-2-carbonyl chloride (CAS 21815-91-8) is a chemical compound with molecular formula C9H4Cl2OS and molecular weight 229.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-1-benzothiophene-2-carbonyl chloride
Also Known As: 3-Chlorobenzo[b]thiophene-2-carbonyl chloride, 3-Chloro-1-benzothiophene-2-carbonyl chloride, 3-Chlorobenzothiophene-2-carbonyl chloride, AKOS B000002, 3-chlorobenzo[b]thiophen-2-carbonyl chloride
| Molecular Formula | C9H4Cl2OS |
|---|---|
| Molecular Weight | 229.94 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.93599 |
| Heavy Atoms | 13 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 21815-91-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C(=O)Cl)Cl |
| InChIKey | GWKSSMDJEWPKCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chlorobenzo(b)thiophene-2-carbonyl chloride (CAS 21815-91-8), with molecular formula C9H4Cl2OS and molecular weight 229.94 g/mol. IUPAC: 3-chloro-1-benzothiophene-2-carbonyl chloride.
Chemical Property Profile of 3-Chlorobenzo(b)thiophene-2-carbonyl chloride
Property Insights of 3-Chlorobenzo(b)thiophene-2-carbonyl chloride
The XLogP value of 4.4 indicates that 3-Chlorobenzo(b)thiophene-2-carbonyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, 3-Chlorobenzo(b)thiophene-2-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chlorobenzo(b)thiophene-2-carbonyl chloride has 0 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-Chlorobenzo(b)thiophene-2-carbonyl chloride?
The CAS number of 3-Chlorobenzo(b)thiophene-2-carbonyl chloride is 21815-91-8.
What is the molecular formula of 3-Chlorobenzo(b)thiophene-2-carbonyl chloride?
The molecular formula of 3-Chlorobenzo(b)thiophene-2-carbonyl chloride is C9H4Cl2OS.
What is the molecular weight of 3-Chlorobenzo(b)thiophene-2-carbonyl chloride?
The molecular weight of 3-Chlorobenzo(b)thiophene-2-carbonyl chloride is 229.94 g/mol.
Where can I buy 3-Chlorobenzo(b)thiophene-2-carbonyl chloride?
You can request a quote for 3-Chlorobenzo(b)thiophene-2-carbonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chlorobenzo(b)thiophene-2-carbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Chlorobenzo(b)thiophene-2-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.