2-Chloro-1-(2,5-dimethyl-1-thiophen-2-ylmethyl-1H-pyrrol-3-yl)-ethanone
TL;DR: 2-Chloro-1-(2,5-dimethyl-1-thiophen-2-ylmethyl-1H-pyrrol-3-yl)-ethanone (CAS 554405-85-5) is a chemical compound with molecular formula C13H14ClNOS and molecular weight 267.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]ethanone
Also Known As: 2-chloro-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrol-3-yl]ethan-1-one, 2-Chloro-1-(2,5-dimethyl-1-thiophen-2-ylmethyl-1H-pyrrol-3-yl)-ethanone, 2-chloro-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]ethanone, 2-chloro-1-{2,5-dimethyl-1-[(thiophen-2-yl)methyl]-1H-pyrrol-3-yl}ethan-1-one
| Molecular Formula | C13H14ClNOS |
|---|---|
| Molecular Weight | 267.05 g/mol |
| LogP | 3.63624 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.04846 |
| Heavy Atoms | 17 |
| Complexity | 527.8619 |
Chemical Identifiers
| CAS Number | 554405-85-5 |
|---|---|
| SMILES | CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CCl |
Product Overview
2-Chloro-1-(2,5-dimethyl-1-thiophen-2-ylmethyl-1H-pyrrol-3-yl)-ethanone (CAS 554405-85-5), with molecular formula C13H14ClNOS and molecular weight 267.05 g/mol. IUPAC: 2-chloro-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]ethanone.
Chemical Property Profile of 2-Chloro-1-(2,5-dimethyl-1-thiophen-2-ylmethyl-1H-pyrrol-3-yl)-ethanone
Property Insights of 2-Chloro-1-(2,5-dimethyl-1-thiophen-2-ylmethyl-1H-pyrrol-3-yl)-ethanone
The XLogP value of 3.63624 indicates that 2-Chloro-1-(2,5-dimethyl-1-thiophen-2-ylmethyl-1H-pyrrol-3-yl)-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.0 Ų, 2-Chloro-1-(2,5-dimethyl-1-thiophen-2-ylmethyl-1H-pyrrol-3-yl)-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-(2,5-dimethyl-1-thiophen-2-ylmethyl-1H-pyrrol-3-yl)-ethanone has 0 hydrogen bond donor(s) and 2 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-Chloro-1-(2,5-dimethyl-1-thiophen-2-ylmethyl-1H-pyrrol-3-yl)-ethanone?
The CAS number of 2-Chloro-1-(2,5-dimethyl-1-thiophen-2-ylmethyl-1H-pyrrol-3-yl)-ethanone is 554405-85-5.
What is the molecular formula of 2-Chloro-1-(2,5-dimethyl-1-thiophen-2-ylmethyl-1H-pyrrol-3-yl)-ethanone?
The molecular formula of 2-Chloro-1-(2,5-dimethyl-1-thiophen-2-ylmethyl-1H-pyrrol-3-yl)-ethanone is C13H14ClNOS.
What is the molecular weight of 2-Chloro-1-(2,5-dimethyl-1-thiophen-2-ylmethyl-1H-pyrrol-3-yl)-ethanone?
The molecular weight of 2-Chloro-1-(2,5-dimethyl-1-thiophen-2-ylmethyl-1H-pyrrol-3-yl)-ethanone is 267.05 g/mol.
Where can I buy 2-Chloro-1-(2,5-dimethyl-1-thiophen-2-ylmethyl-1H-pyrrol-3-yl)-ethanone?
You can request a quote for 2-Chloro-1-(2,5-dimethyl-1-thiophen-2-ylmethyl-1H-pyrrol-3-yl)-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-(2,5-dimethyl-1-thiophen-2-ylmethyl-1H-pyrrol-3-yl)-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-(2,5-dimethyl-1-thiophen-2-ylmethyl-1H-pyrrol-3-yl)-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.