![6-Chloro-1-ethylbenz[cd]indol-2(1H)-one structure](/static/products/4248/42487-22-9.webp)
6-Chloro-1-ethylbenz[cd]indol-2(1H)-one
TL;DR: 6-Chloro-1-ethylbenz[cd]indol-2(1H)-one (CAS 42487-22-9) is a chemical compound with molecular formula C13H10ClNO and molecular weight 231.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-1-ethylbenzo[cd]indol-2-one
Also Known As: 6-Chloro-1-ethyl-1H-benzo[cd]indol-2-one, 6-chloro-1-ethylbenzo[cd]indol-2(1H)-one, BAS 01060098, 6-Chloro-1-ethylbenz[cd]indol-2(1H)-one, Benz[cd]indol-2(1H)-one,6-chloro-1-ethyl-
| Molecular Formula | C13H10ClNO |
|---|---|
| Molecular Weight | 231.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.04509 |
| Heavy Atoms | 16 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 42487-22-9 |
|---|---|
| SMILES | CCN1C2=C3C(=C(C=C2)Cl)C=CC=C3C1=O |
| InChIKey | YVJMISVVJPEBSQ-UHFFFAOYSA-N |
Product Overview
6-Chloro-1-ethylbenz[cd]indol-2(1H)-one (CAS 42487-22-9), with molecular formula C13H10ClNO and molecular weight 231.05 g/mol. IUPAC: 6-chloro-1-ethylbenzo[cd]indol-2-one.
Chemical Property Profile of 6-Chloro-1-ethylbenz[cd]indol-2(1H)-one
Property Insights of 6-Chloro-1-ethylbenz[cd]indol-2(1H)-one
The XLogP value of 3.3 indicates that 6-Chloro-1-ethylbenz[cd]indol-2(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 6-Chloro-1-ethylbenz[cd]indol-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-1-ethylbenz[cd]indol-2(1H)-one 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 6-Chloro-1-ethylbenz[cd]indol-2(1H)-one?
The CAS number of 6-Chloro-1-ethylbenz[cd]indol-2(1H)-one is 42487-22-9.
What is the molecular formula of 6-Chloro-1-ethylbenz[cd]indol-2(1H)-one?
The molecular formula of 6-Chloro-1-ethylbenz[cd]indol-2(1H)-one is C13H10ClNO.
What is the molecular weight of 6-Chloro-1-ethylbenz[cd]indol-2(1H)-one?
The molecular weight of 6-Chloro-1-ethylbenz[cd]indol-2(1H)-one is 231.05 g/mol.
Where can I buy 6-Chloro-1-ethylbenz[cd]indol-2(1H)-one?
You can request a quote for 6-Chloro-1-ethylbenz[cd]indol-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-1-ethylbenz[cd]indol-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-1-ethylbenz[cd]indol-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.