3-(5-Chloro-3-methyl-1-benzothiophen-2-yl)-3-oxopropanenitrile
TL;DR: 3-(5-Chloro-3-methyl-1-benzothiophen-2-yl)-3-oxopropanenitrile (CAS 208720-10-9) is a chemical compound with molecular formula C12H8ClNOS and molecular weight 249.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-3-oxopropanenitrile
Also Known As: Maybridge4_002800, IDI1_032678, BRD-K37091607-001-01-6, 3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-3-oxopropanenitrile, 5-Chloro-3-methyl-beta-oxobenzo[b]thiophene-2-propanenitrile
| Molecular Formula | C12H8ClNOS |
|---|---|
| Molecular Weight | 249.00 g/mol |
| LogP | 3.9595 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.00151 |
| Heavy Atoms | 16 |
| Complexity | 609.24164 |
Chemical Identifiers
| CAS Number | 208720-10-9 |
|---|---|
| SMILES | CC1=C(SC2=C1C=C(C=C2)Cl)C(=O)CC#N |
Product Overview
3-(5-Chloro-3-methyl-1-benzothiophen-2-yl)-3-oxopropanenitrile (CAS 208720-10-9), with molecular formula C12H8ClNOS and molecular weight 249.00 g/mol. IUPAC: 3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-3-oxopropanenitrile.
Chemical Property Profile of 3-(5-Chloro-3-methyl-1-benzothiophen-2-yl)-3-oxopropanenitrile
Property Insights of 3-(5-Chloro-3-methyl-1-benzothiophen-2-yl)-3-oxopropanenitrile
The XLogP value of 3.9595 indicates that 3-(5-Chloro-3-methyl-1-benzothiophen-2-yl)-3-oxopropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, 3-(5-Chloro-3-methyl-1-benzothiophen-2-yl)-3-oxopropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5-Chloro-3-methyl-1-benzothiophen-2-yl)-3-oxopropanenitrile has 0 hydrogen bond donor(s) and 3 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-(5-Chloro-3-methyl-1-benzothiophen-2-yl)-3-oxopropanenitrile?
The CAS number of 3-(5-Chloro-3-methyl-1-benzothiophen-2-yl)-3-oxopropanenitrile is 208720-10-9.
What is the molecular formula of 3-(5-Chloro-3-methyl-1-benzothiophen-2-yl)-3-oxopropanenitrile?
The molecular formula of 3-(5-Chloro-3-methyl-1-benzothiophen-2-yl)-3-oxopropanenitrile is C12H8ClNOS.
What is the molecular weight of 3-(5-Chloro-3-methyl-1-benzothiophen-2-yl)-3-oxopropanenitrile?
The molecular weight of 3-(5-Chloro-3-methyl-1-benzothiophen-2-yl)-3-oxopropanenitrile is 249.00 g/mol.
Where can I buy 3-(5-Chloro-3-methyl-1-benzothiophen-2-yl)-3-oxopropanenitrile?
You can request a quote for 3-(5-Chloro-3-methyl-1-benzothiophen-2-yl)-3-oxopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-Chloro-3-methyl-1-benzothiophen-2-yl)-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Chloro-3-methyl-1-benzothiophen-2-yl)-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.