4'-(Isopropylsulfonyl)acetanilide
TL;DR: 4'-(Isopropylsulfonyl)acetanilide (CAS 86810-72-2) is a chemical compound with molecular formula C11H15NO3S and molecular weight 241.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-propan-2-ylsulfonylphenyl)acetamide
Also Known As: NIOSH/AE4350000, 4'-(Isopropylsulfonyl)acetanilide, N-(4-(isopropylsulfonyl)phenyl)acetamide, Acetanilide, 4'-(isopropylsulfonyl)-, N-(4-propan-2-ylsulfonylphenyl)acetamide
| Molecular Formula | C11H15NO3S |
|---|---|
| Molecular Weight | 241.08 g/mol |
| LogP | 1.8271 |
| Topological Polar Surface Area | 63.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.07727 |
| Heavy Atoms | 16 |
| Complexity | 474.45605 |
Chemical Identifiers
| CAS Number | 86810-72-2 |
|---|---|
| SMILES | CC(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C |
Product Overview
4'-(Isopropylsulfonyl)acetanilide (CAS 86810-72-2), with molecular formula C11H15NO3S and molecular weight 241.08 g/mol. IUPAC: N-(4-propan-2-ylsulfonylphenyl)acetamide.
Chemical Property Profile of 4'-(Isopropylsulfonyl)acetanilide
Property Insights of 4'-(Isopropylsulfonyl)acetanilide
The XLogP value of 1.8271 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-(Isopropylsulfonyl)acetanilide. The TPSA of 63.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-(Isopropylsulfonyl)acetanilide. Following Lipinski's Rule of Five, 4'-(Isopropylsulfonyl)acetanilide 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 4'-(Isopropylsulfonyl)acetanilide?
The CAS number of 4'-(Isopropylsulfonyl)acetanilide is 86810-72-2.
What is the molecular formula of 4'-(Isopropylsulfonyl)acetanilide?
The molecular formula of 4'-(Isopropylsulfonyl)acetanilide is C11H15NO3S.
What is the molecular weight of 4'-(Isopropylsulfonyl)acetanilide?
The molecular weight of 4'-(Isopropylsulfonyl)acetanilide is 241.08 g/mol.
Where can I buy 4'-(Isopropylsulfonyl)acetanilide?
You can request a quote for 4'-(Isopropylsulfonyl)acetanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-(Isopropylsulfonyl)acetanilide?
Yes, KEHONG BIO provides custom synthesis services for 4'-(Isopropylsulfonyl)acetanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.