1-(3-methoxybenzyl)-4,5-dimethyl-3-(methylsulfonyl)-1H-pyrrol-2-amine
TL;DR: 1-(3-methoxybenzyl)-4,5-dimethyl-3-(methylsulfonyl)-1H-pyrrol-2-amine (CAS 866142-44-1) is a chemical compound with molecular formula C15H20N2O3S and molecular weight 308.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-methoxyphenyl)methyl]-4,5-dimethyl-3-methylsulfonylpyrrol-2-amine
Also Known As: 1-(3-methoxybenzyl)-4,5-dimethyl-3-(methylsulfonyl)-1H-pyrrol-2-amine, 3-methanesulfonyl-1-[(3-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrrol-2-amine, 8X-0200, 1-[(3-methoxyphenyl)methyl]-4,5-dimethyl-3-methylsulfonylpyrrol-2-amine, 1-[(3-methoxyphenyl)methyl]-4,5-dimethyl-3-methylsulfonyl-pyrrol-2-amine
| Molecular Formula | C15H20N2O3S |
|---|---|
| Molecular Weight | 308.12 g/mol |
| LogP | 2.14754 |
| Topological Polar Surface Area | 74.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.11948 |
| Heavy Atoms | 21 |
| Complexity | 776.45667 |
Chemical Identifiers
| CAS Number | 866142-44-1 |
|---|---|
| SMILES | CC1=C(N(C(=C1S(=O)(=O)C)N)CC2=CC(=CC=C2)OC)C |
Product Overview
1-(3-methoxybenzyl)-4,5-dimethyl-3-(methylsulfonyl)-1H-pyrrol-2-amine (CAS 866142-44-1), with molecular formula C15H20N2O3S and molecular weight 308.12 g/mol. IUPAC: 1-[(3-methoxyphenyl)methyl]-4,5-dimethyl-3-methylsulfonylpyrrol-2-amine.
Chemical Property Profile of 1-(3-methoxybenzyl)-4,5-dimethyl-3-(methylsulfonyl)-1H-pyrrol-2-amine
Property Insights of 1-(3-methoxybenzyl)-4,5-dimethyl-3-(methylsulfonyl)-1H-pyrrol-2-amine
The XLogP value of 2.14754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-methoxybenzyl)-4,5-dimethyl-3-(methylsulfonyl)-1H-pyrrol-2-amine. The TPSA of 74.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-methoxybenzyl)-4,5-dimethyl-3-(methylsulfonyl)-1H-pyrrol-2-amine. Following Lipinski's Rule of Five, 1-(3-methoxybenzyl)-4,5-dimethyl-3-(methylsulfonyl)-1H-pyrrol-2-amine has 1 hydrogen bond donor(s) and 4 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-(3-methoxybenzyl)-4,5-dimethyl-3-(methylsulfonyl)-1H-pyrrol-2-amine?
The CAS number of 1-(3-methoxybenzyl)-4,5-dimethyl-3-(methylsulfonyl)-1H-pyrrol-2-amine is 866142-44-1.
What is the molecular formula of 1-(3-methoxybenzyl)-4,5-dimethyl-3-(methylsulfonyl)-1H-pyrrol-2-amine?
The molecular formula of 1-(3-methoxybenzyl)-4,5-dimethyl-3-(methylsulfonyl)-1H-pyrrol-2-amine is C15H20N2O3S.
What is the molecular weight of 1-(3-methoxybenzyl)-4,5-dimethyl-3-(methylsulfonyl)-1H-pyrrol-2-amine?
The molecular weight of 1-(3-methoxybenzyl)-4,5-dimethyl-3-(methylsulfonyl)-1H-pyrrol-2-amine is 308.12 g/mol.
Where can I buy 1-(3-methoxybenzyl)-4,5-dimethyl-3-(methylsulfonyl)-1H-pyrrol-2-amine?
You can request a quote for 1-(3-methoxybenzyl)-4,5-dimethyl-3-(methylsulfonyl)-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-(3-methoxybenzyl)-4,5-dimethyl-3-(methylsulfonyl)-1H-pyrrol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-methoxybenzyl)-4,5-dimethyl-3-(methylsulfonyl)-1H-pyrrol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.