1-butyl-4,5-dimethyl-3-(phenylsulfonyl)-1H-pyrrol-2-amine
TL;DR: 1-butyl-4,5-dimethyl-3-(phenylsulfonyl)-1H-pyrrol-2-amine (CAS 77444-93-0) is a chemical compound with molecular formula C16H22N2O2S and molecular weight 306.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzenesulfonyl)-1-butyl-4,5-dimethylpyrrol-2-amine
Also Known As: 3-(benzenesulfonyl)-1-butyl-4,5-dimethylpyrrol-2-amine, 1-butyl-4,5-dimethyl-3-(phenylsulfonyl)-1H-pyrrol-2-amine
| Molecular Formula | C16H22N2O2S |
|---|---|
| Molecular Weight | 306.14 g/mol |
| LogP | 3.32004 |
| Topological Polar Surface Area | 65.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.1402 |
| Heavy Atoms | 21 |
| Complexity | 731.3826 |
Chemical Identifiers
| CAS Number | 77444-93-0 |
|---|---|
| SMILES | CCCCN1C(=C(C(=C1N)S(=O)(=O)C2=CC=CC=C2)C)C |
Product Overview
1-butyl-4,5-dimethyl-3-(phenylsulfonyl)-1H-pyrrol-2-amine (CAS 77444-93-0), with molecular formula C16H22N2O2S and molecular weight 306.14 g/mol. IUPAC: 3-(benzenesulfonyl)-1-butyl-4,5-dimethylpyrrol-2-amine.
Chemical Property Profile of 1-butyl-4,5-dimethyl-3-(phenylsulfonyl)-1H-pyrrol-2-amine
Property Insights of 1-butyl-4,5-dimethyl-3-(phenylsulfonyl)-1H-pyrrol-2-amine
The XLogP value of 3.32004 indicates that 1-butyl-4,5-dimethyl-3-(phenylsulfonyl)-1H-pyrrol-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-butyl-4,5-dimethyl-3-(phenylsulfonyl)-1H-pyrrol-2-amine. Following Lipinski's Rule of Five, 1-butyl-4,5-dimethyl-3-(phenylsulfonyl)-1H-pyrrol-2-amine 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 1-butyl-4,5-dimethyl-3-(phenylsulfonyl)-1H-pyrrol-2-amine?
The CAS number of 1-butyl-4,5-dimethyl-3-(phenylsulfonyl)-1H-pyrrol-2-amine is 77444-93-0.
What is the molecular formula of 1-butyl-4,5-dimethyl-3-(phenylsulfonyl)-1H-pyrrol-2-amine?
The molecular formula of 1-butyl-4,5-dimethyl-3-(phenylsulfonyl)-1H-pyrrol-2-amine is C16H22N2O2S.
What is the molecular weight of 1-butyl-4,5-dimethyl-3-(phenylsulfonyl)-1H-pyrrol-2-amine?
The molecular weight of 1-butyl-4,5-dimethyl-3-(phenylsulfonyl)-1H-pyrrol-2-amine is 306.14 g/mol.
Where can I buy 1-butyl-4,5-dimethyl-3-(phenylsulfonyl)-1H-pyrrol-2-amine?
You can request a quote for 1-butyl-4,5-dimethyl-3-(phenylsulfonyl)-1H-pyrrol-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-butyl-4,5-dimethyl-3-(phenylsulfonyl)-1H-pyrrol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-butyl-4,5-dimethyl-3-(phenylsulfonyl)-1H-pyrrol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.