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6-Chloro-2-oxobenz[cd]indole-1(2H)-propanenitrile
TL;DR: 6-Chloro-2-oxobenz[cd]indole-1(2H)-propanenitrile (CAS 34084-73-6) is a chemical compound with molecular formula C14H9ClN2O and molecular weight 256.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-chloro-2-oxobenzo[cd]indol-1-yl)propanenitrile
Also Known As: 6-Chloro-2-oxobenz[cd]indole-1(2H)-propanenitrile, 3-(6-Chloro-2-oxobenzo[cd]indol-1(2H)-yl)propanenitrile
| Molecular Formula | C14H9ClN2O |
|---|---|
| Molecular Weight | 256.04 g/mol |
| LogP | 3.36708 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.04034 |
| Heavy Atoms | 18 |
| Complexity | 702.7416 |
Chemical Identifiers
| CAS Number | 34084-73-6 |
|---|---|
| SMILES | C1=CC2=C(C=CC3=C2C(=C1)C(=O)N3CCC#N)Cl |
Product Overview
6-Chloro-2-oxobenz[cd]indole-1(2H)-propanenitrile (CAS 34084-73-6), with molecular formula C14H9ClN2O and molecular weight 256.04 g/mol. IUPAC: 3-(6-chloro-2-oxobenzo[cd]indol-1-yl)propanenitrile.
Chemical Property Profile of 6-Chloro-2-oxobenz[cd]indole-1(2H)-propanenitrile
Property Insights of 6-Chloro-2-oxobenz[cd]indole-1(2H)-propanenitrile
The XLogP value of 3.36708 indicates that 6-Chloro-2-oxobenz[cd]indole-1(2H)-propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, 6-Chloro-2-oxobenz[cd]indole-1(2H)-propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-2-oxobenz[cd]indole-1(2H)-propanenitrile 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 6-Chloro-2-oxobenz[cd]indole-1(2H)-propanenitrile?
The CAS number of 6-Chloro-2-oxobenz[cd]indole-1(2H)-propanenitrile is 34084-73-6.
What is the molecular formula of 6-Chloro-2-oxobenz[cd]indole-1(2H)-propanenitrile?
The molecular formula of 6-Chloro-2-oxobenz[cd]indole-1(2H)-propanenitrile is C14H9ClN2O.
What is the molecular weight of 6-Chloro-2-oxobenz[cd]indole-1(2H)-propanenitrile?
The molecular weight of 6-Chloro-2-oxobenz[cd]indole-1(2H)-propanenitrile is 256.04 g/mol.
Where can I buy 6-Chloro-2-oxobenz[cd]indole-1(2H)-propanenitrile?
You can request a quote for 6-Chloro-2-oxobenz[cd]indole-1(2H)-propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-2-oxobenz[cd]indole-1(2H)-propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-2-oxobenz[cd]indole-1(2H)-propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.