![1-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-1H-pyrrole structure](/static/products/3384/338422-84-7.webp)
1-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-1H-pyrrole
TL;DR: 1-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-1H-pyrrole (CAS 338422-84-7) is a chemical compound with molecular formula C15H18ClNS and molecular weight 279.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methylpropyl]pyrrole
Also Known As: 1-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-1H-pyrrole, 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methylpropyl]pyrrole, 4J-040, 1-(2-{[(4-chlorophenyl)methyl]sulfanyl}-2-methylpropyl)-1H-pyrrole, 1-(2-{[(4-chlorophenyl)methyl]sulfanyl}-2-methylpropyl)pyrrole
| Molecular Formula | C15H18ClNS |
|---|---|
| Molecular Weight | 279.08 g/mol |
| LogP | 4.8535 |
| Topological Polar Surface Area | 4.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.08484 |
| Heavy Atoms | 18 |
| Complexity | 473.70453 |
Chemical Identifiers
| CAS Number | 338422-84-7 |
|---|---|
| SMILES | CC(C)(CN1C=CC=C1)SCC2=CC=C(C=C2)Cl |
Product Overview
1-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-1H-pyrrole (CAS 338422-84-7), with molecular formula C15H18ClNS and molecular weight 279.08 g/mol. IUPAC: 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methylpropyl]pyrrole.
Chemical Property Profile of 1-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-1H-pyrrole
Property Insights of 1-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-1H-pyrrole
The XLogP value of 4.8535 indicates that 1-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-1H-pyrrole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.93 Ų, 1-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-1H-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-1H-pyrrole has 0 hydrogen bond donor(s) and 1 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-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-1H-pyrrole?
The CAS number of 1-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-1H-pyrrole is 338422-84-7.
What is the molecular formula of 1-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-1H-pyrrole?
The molecular formula of 1-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-1H-pyrrole is C15H18ClNS.
What is the molecular weight of 1-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-1H-pyrrole?
The molecular weight of 1-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-1H-pyrrole is 279.08 g/mol.
Where can I buy 1-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-1H-pyrrole?
You can request a quote for 1-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-1H-pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-1H-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 1-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-1H-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.