InChI=1/C6H6ClNO/c1-4(9)6-5(7)2-3-8-6/h2-3,8H,1H
TL;DR: InChI=1/C6H6ClNO/c1-4(9)6-5(7)2-3-8-6/h2-3,8H,1H (CAS 226410-01-1) is a chemical compound with molecular formula C6H6ClNO and molecular weight 143.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-1H-pyrrol-2-yl)ethanone
Also Known As: 3-Chloro-2-acetyl-1H-pyrrole, 1-(3-chloro-1H-pyrrol-2-yl)ethanone, Ethanone, 1-(3-chloro-1H-pyrrol-2-yl)-, 1-(3-chloro-1H-pyrrol-2-yl)ethan-1-one, J1.071.343I
| Molecular Formula | C6H6ClNO |
|---|---|
| Molecular Weight | 143.01 g/mol |
| LogP | 1.8707 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 143.0138 |
| Heavy Atoms | 9 |
| Complexity | 228.71666 |
Chemical Identifiers
| CAS Number | 226410-01-1 |
|---|---|
| SMILES | CC(=O)C1=C(C=CN1)Cl |
Product Overview
InChI=1/C6H6ClNO/c1-4(9)6-5(7)2-3-8-6/h2-3,8H,1H (CAS 226410-01-1), with molecular formula C6H6ClNO and molecular weight 143.01 g/mol. IUPAC: 1-(3-chloro-1H-pyrrol-2-yl)ethanone.
Chemical Property Profile of InChI=1/C6H6ClNO/c1-4(9)6-5(7)2-3-8-6/h2-3,8H,1H
Property Insights of InChI=1/C6H6ClNO/c1-4(9)6-5(7)2-3-8-6/h2-3,8H,1H
The XLogP value of 1.8707 suggests moderate lipophilicity, balancing water solubility and membrane permeability for InChI=1/C6H6ClNO/c1-4(9)6-5(7)2-3-8-6/h2-3,8H,1H. With a topological polar surface area (TPSA) of 32.86 Ų, InChI=1/C6H6ClNO/c1-4(9)6-5(7)2-3-8-6/h2-3,8H,1H exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, InChI=1/C6H6ClNO/c1-4(9)6-5(7)2-3-8-6/h2-3,8H,1H has 1 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 InChI=1/C6H6ClNO/c1-4(9)6-5(7)2-3-8-6/h2-3,8H,1H?
The CAS number of InChI=1/C6H6ClNO/c1-4(9)6-5(7)2-3-8-6/h2-3,8H,1H is 226410-01-1.
What is the molecular formula of InChI=1/C6H6ClNO/c1-4(9)6-5(7)2-3-8-6/h2-3,8H,1H?
The molecular formula of InChI=1/C6H6ClNO/c1-4(9)6-5(7)2-3-8-6/h2-3,8H,1H is C6H6ClNO.
What is the molecular weight of InChI=1/C6H6ClNO/c1-4(9)6-5(7)2-3-8-6/h2-3,8H,1H?
The molecular weight of InChI=1/C6H6ClNO/c1-4(9)6-5(7)2-3-8-6/h2-3,8H,1H is 143.01 g/mol.
Where can I buy InChI=1/C6H6ClNO/c1-4(9)6-5(7)2-3-8-6/h2-3,8H,1H?
You can request a quote for InChI=1/C6H6ClNO/c1-4(9)6-5(7)2-3-8-6/h2-3,8H,1H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for InChI=1/C6H6ClNO/c1-4(9)6-5(7)2-3-8-6/h2-3,8H,1H?
Yes, KEHONG BIO provides custom synthesis services for InChI=1/C6H6ClNO/c1-4(9)6-5(7)2-3-8-6/h2-3,8H,1H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.