3-Chloromethyleneindol-2-one
TL;DR: 3-Chloromethyleneindol-2-one (CAS 114538-03-3) is a chemical compound with molecular formula C9H6ClNO and molecular weight 179.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(chloromethylidene)-1H-indol-2-one
Also Known As: 3-chloromethyleneindol-2-one, 3-(chloromethylidene)-1H-indol-2-one, 3-Chloroylmethylene-2,3-dihydro-1H-indol-2-one
| Molecular Formula | C9H6ClNO |
|---|---|
| Molecular Weight | 179.01 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.0138 |
| Heavy Atoms | 12 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 114538-03-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CCl)C(=O)N2 |
| InChIKey | GXYRSFSDNHEUNL-UHFFFAOYSA-N |
Product Overview
3-Chloromethyleneindol-2-one (CAS 114538-03-3), with molecular formula C9H6ClNO and molecular weight 179.01 g/mol. IUPAC: 3-(chloromethylidene)-1H-indol-2-one.
Chemical Property Profile of 3-Chloromethyleneindol-2-one
Property Insights of 3-Chloromethyleneindol-2-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloromethyleneindol-2-one. With a topological polar surface area (TPSA) of 29.1 Ų, 3-Chloromethyleneindol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloromethyleneindol-2-one 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 3-Chloromethyleneindol-2-one?
The CAS number of 3-Chloromethyleneindol-2-one is 114538-03-3.
What is the molecular formula of 3-Chloromethyleneindol-2-one?
The molecular formula of 3-Chloromethyleneindol-2-one is C9H6ClNO.
What is the molecular weight of 3-Chloromethyleneindol-2-one?
The molecular weight of 3-Chloromethyleneindol-2-one is 179.01 g/mol.
Where can I buy 3-Chloromethyleneindol-2-one?
You can request a quote for 3-Chloromethyleneindol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloromethyleneindol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloromethyleneindol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.