![2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-cyclopropylacetamide structure](/static/products/831/831179-49-8.png)
2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-cyclopropylacetamide
TL;DR: 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-cyclopropylacetamide (CAS 831179-49-8) is a chemical compound with molecular formula C12H13ClFNOS and molecular weight 273.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclopropylacetamide
Also Known As: 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-cyclopropylacetamide, 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclopropylacetamide
| Molecular Formula | C12H13ClFNOS |
|---|---|
| Molecular Weight | 273.04 g/mol |
| LogP | 2.9909 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.03903 |
| Heavy Atoms | 17 |
| Complexity | 402.7167 |
Chemical Identifiers
| CAS Number | 831179-49-8 |
|---|---|
| SMILES | C1CC1NC(=O)CSCC2=C(C=CC=C2Cl)F |
Product Overview
2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-cyclopropylacetamide (CAS 831179-49-8), with molecular formula C12H13ClFNOS and molecular weight 273.04 g/mol. IUPAC: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclopropylacetamide.
Chemical Property Profile of 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-cyclopropylacetamide
Property Insights of 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-cyclopropylacetamide
The XLogP value of 2.9909 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-cyclopropylacetamide. With a topological polar surface area (TPSA) of 29.1 Ų, 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-cyclopropylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-cyclopropylacetamide has 1 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 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-cyclopropylacetamide?
The CAS number of 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-cyclopropylacetamide is 831179-49-8.
What is the molecular formula of 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-cyclopropylacetamide?
The molecular formula of 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-cyclopropylacetamide is C12H13ClFNOS.
What is the molecular weight of 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-cyclopropylacetamide?
The molecular weight of 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-cyclopropylacetamide is 273.04 g/mol.
Where can I buy 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-cyclopropylacetamide?
You can request a quote for 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-cyclopropylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-cyclopropylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-cyclopropylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.