2-Methyl-5-(prop-2-ene-1-sulfonyl)aniline
TL;DR: 2-Methyl-5-(prop-2-ene-1-sulfonyl)aniline (CAS 900641-53-4) is a chemical compound with molecular formula C10H13NO2S and molecular weight 211.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-prop-2-enylsulfonylaniline
Also Known As: 2-METHYL-5-(PROP-2-ENE-1-SULFONYL)ANILINE, 2-methyl-5-prop-2-enylsulfonylaniline, Benzenamine, 2-methyl-5-(2-propen-1-ylsulfonyl)-
| Molecular Formula | C10H13NO2S |
|---|---|
| Molecular Weight | 211.07 g/mol |
| LogP | 1.53692 |
| Topological Polar Surface Area | 60.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.0667 |
| Heavy Atoms | 14 |
| Complexity | 449.18985 |
Chemical Identifiers
| CAS Number | 900641-53-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)CC=C)N |
Product Overview
2-Methyl-5-(prop-2-ene-1-sulfonyl)aniline (CAS 900641-53-4), with molecular formula C10H13NO2S and molecular weight 211.07 g/mol. IUPAC: 2-methyl-5-prop-2-enylsulfonylaniline.
Chemical Property Profile of 2-Methyl-5-(prop-2-ene-1-sulfonyl)aniline
Property Insights of 2-Methyl-5-(prop-2-ene-1-sulfonyl)aniline
The XLogP value of 1.53692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-5-(prop-2-ene-1-sulfonyl)aniline. The TPSA of 60.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-5-(prop-2-ene-1-sulfonyl)aniline. Following Lipinski's Rule of Five, 2-Methyl-5-(prop-2-ene-1-sulfonyl)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 2-Methyl-5-(prop-2-ene-1-sulfonyl)aniline?
The CAS number of 2-Methyl-5-(prop-2-ene-1-sulfonyl)aniline is 900641-53-4.
What is the molecular formula of 2-Methyl-5-(prop-2-ene-1-sulfonyl)aniline?
The molecular formula of 2-Methyl-5-(prop-2-ene-1-sulfonyl)aniline is C10H13NO2S.
What is the molecular weight of 2-Methyl-5-(prop-2-ene-1-sulfonyl)aniline?
The molecular weight of 2-Methyl-5-(prop-2-ene-1-sulfonyl)aniline is 211.07 g/mol.
Where can I buy 2-Methyl-5-(prop-2-ene-1-sulfonyl)aniline?
You can request a quote for 2-Methyl-5-(prop-2-ene-1-sulfonyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-5-(prop-2-ene-1-sulfonyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-(prop-2-ene-1-sulfonyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.