3-Chloro-1-(2-thienyl)-1-propanone
TL;DR: 3-Chloro-1-(2-thienyl)-1-propanone (CAS 40570-64-7) is a chemical compound with molecular formula C7H7ClOS and molecular weight 173.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-1-thiophen-2-ylpropan-1-one
Also Known As: 3-Chloro-1-(thiophen-2-yl)propan-1-one, 3-Chloro-1-(2-thienyl)-1-propanone, 2-(3-Chloropropionyl)thiophene, 3-chloro-1-thiophen-2-ylpropan-1-one, 2-(3-chloropropanyl)thiophene
| Molecular Formula | C7H7ClOS |
|---|---|
| Molecular Weight | 173.99 g/mol |
| LogP | 2.5597 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 173.99062 |
| Heavy Atoms | 10 |
| Complexity | 205.3905 |
Chemical Identifiers
| CAS Number | 40570-64-7 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)CCCl |
Product Overview
3-Chloro-1-(2-thienyl)-1-propanone (CAS 40570-64-7), with molecular formula C7H7ClOS and molecular weight 173.99 g/mol. IUPAC: 3-chloro-1-thiophen-2-ylpropan-1-one.
Chemical Property Profile of 3-Chloro-1-(2-thienyl)-1-propanone
Property Insights of 3-Chloro-1-(2-thienyl)-1-propanone
The XLogP value of 2.5597 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-1-(2-thienyl)-1-propanone. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Chloro-1-(2-thienyl)-1-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-1-(2-thienyl)-1-propanone 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-Chloro-1-(2-thienyl)-1-propanone?
The CAS number of 3-Chloro-1-(2-thienyl)-1-propanone is 40570-64-7.
What is the molecular formula of 3-Chloro-1-(2-thienyl)-1-propanone?
The molecular formula of 3-Chloro-1-(2-thienyl)-1-propanone is C7H7ClOS.
What is the molecular weight of 3-Chloro-1-(2-thienyl)-1-propanone?
The molecular weight of 3-Chloro-1-(2-thienyl)-1-propanone is 173.99 g/mol.
Where can I buy 3-Chloro-1-(2-thienyl)-1-propanone?
You can request a quote for 3-Chloro-1-(2-thienyl)-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-1-(2-thienyl)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-1-(2-thienyl)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.