n-Allyl-4-chloro-3-(methylsulfonyl)benzamide
TL;DR: n-Allyl-4-chloro-3-(methylsulfonyl)benzamide (CAS 852682-03-2) is a chemical compound with molecular formula C11H12ClNO3S and molecular weight 273.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-methylsulfonyl-N-prop-2-enylbenzamide
Also Known As: n-Allyl-4-chloro-3-(methylsulfonyl)benzamide, 4-chloro-3-methanesulfonyl-N-(prop-2-en-1-yl)benzamide, 4-chloro-3-methylsulfonyl-N-prop-2-enylbenzamide
| Molecular Formula | C11H12ClNO3S |
|---|---|
| Molecular Weight | 273.02 g/mol |
| LogP | 1.6593 |
| Topological Polar Surface Area | 63.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.02264 |
| Heavy Atoms | 17 |
| Complexity | 551.835 |
Chemical Identifiers
| CAS Number | 852682-03-2 |
|---|---|
| SMILES | CS(=O)(=O)C1=C(C=CC(=C1)C(=O)NCC=C)Cl |
Product Overview
n-Allyl-4-chloro-3-(methylsulfonyl)benzamide (CAS 852682-03-2), with molecular formula C11H12ClNO3S and molecular weight 273.02 g/mol. IUPAC: 4-chloro-3-methylsulfonyl-N-prop-2-enylbenzamide.
Chemical Property Profile of n-Allyl-4-chloro-3-(methylsulfonyl)benzamide
Property Insights of n-Allyl-4-chloro-3-(methylsulfonyl)benzamide
The XLogP value of 1.6593 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Allyl-4-chloro-3-(methylsulfonyl)benzamide. The TPSA of 63.24 Ų falls within the moderate polarity range, balancing permeability and solubility for n-Allyl-4-chloro-3-(methylsulfonyl)benzamide. Following Lipinski's Rule of Five, n-Allyl-4-chloro-3-(methylsulfonyl)benzamide has 1 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 n-Allyl-4-chloro-3-(methylsulfonyl)benzamide?
The CAS number of n-Allyl-4-chloro-3-(methylsulfonyl)benzamide is 852682-03-2.
What is the molecular formula of n-Allyl-4-chloro-3-(methylsulfonyl)benzamide?
The molecular formula of n-Allyl-4-chloro-3-(methylsulfonyl)benzamide is C11H12ClNO3S.
What is the molecular weight of n-Allyl-4-chloro-3-(methylsulfonyl)benzamide?
The molecular weight of n-Allyl-4-chloro-3-(methylsulfonyl)benzamide is 273.02 g/mol.
Where can I buy n-Allyl-4-chloro-3-(methylsulfonyl)benzamide?
You can request a quote for n-Allyl-4-chloro-3-(methylsulfonyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Allyl-4-chloro-3-(methylsulfonyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for n-Allyl-4-chloro-3-(methylsulfonyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.