4-(Isopropylsulfonyl)aniline
TL;DR: 4-(Isopropylsulfonyl)aniline (CAS 25355-76-4) is a chemical compound with molecular formula C9H13NO2S and molecular weight 199.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-propan-2-ylsulfonylaniline
Also Known As: 4-(Isopropylsulfonyl)aniline, 4-(PROPANE-2-SULFONYL)ANILINE, 4-propan-2-ylsulfonylaniline, Ceritinib Impurity 31, 4-Isopropylsulfonylaniline
| Molecular Formula | C9H13NO2S |
|---|---|
| Molecular Weight | 199.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.0667 |
| Heavy Atoms | 13 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 25355-76-4 |
|---|---|
| SMILES | CC(C)S(=O)(=O)C1=CC=C(C=C1)N |
| InChIKey | DIHIFAYUBGSXGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Isopropylsulfonyl)aniline (CAS 25355-76-4), with molecular formula C9H13NO2S and molecular weight 199.07 g/mol. IUPAC: 4-propan-2-ylsulfonylaniline.
Chemical Property Profile of 4-(Isopropylsulfonyl)aniline
Property Insights of 4-(Isopropylsulfonyl)aniline
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Isopropylsulfonyl)aniline. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Isopropylsulfonyl)aniline. Following Lipinski's Rule of Five, 4-(Isopropylsulfonyl)aniline 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)aniline?
The CAS number of 4-(Isopropylsulfonyl)aniline is 25355-76-4.
What is the molecular formula of 4-(Isopropylsulfonyl)aniline?
The molecular formula of 4-(Isopropylsulfonyl)aniline is C9H13NO2S.
What is the molecular weight of 4-(Isopropylsulfonyl)aniline?
The molecular weight of 4-(Isopropylsulfonyl)aniline is 199.07 g/mol.
Where can I buy 4-(Isopropylsulfonyl)aniline?
You can request a quote for 4-(Isopropylsulfonyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Isopropylsulfonyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(Isopropylsulfonyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.