5-Chloro-8-nitro-naphthalene-1-carbonitrile
TL;DR: 5-Chloro-8-nitro-naphthalene-1-carbonitrile (CAS 165558-63-4) is a chemical compound with molecular formula C11H5ClN2O2 and molecular weight 232.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-8-nitronaphthalene-1-carbonitrile
Also Known As: 5-chloro-8-nitro-naphthalene-1-carbonitrile, 1-Naphthalenecarbonitrile, 5-chloro-8-nitro-
| Molecular Formula | C11H5ClN2O2 |
|---|---|
| Molecular Weight | 232.00 g/mol |
| LogP | 3.27308 |
| Topological Polar Surface Area | 66.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.00395 |
| Heavy Atoms | 16 |
| Complexity | 631.6525 |
Chemical Identifiers
| CAS Number | 165558-63-4 |
|---|---|
| SMILES | C1=CC(=C2C(=C1)C(=CC=C2[N+](=O)[O-])Cl)C#N |
Product Overview
5-Chloro-8-nitro-naphthalene-1-carbonitrile (CAS 165558-63-4), with molecular formula C11H5ClN2O2 and molecular weight 232.00 g/mol. IUPAC: 5-chloro-8-nitronaphthalene-1-carbonitrile.
Chemical Property Profile of 5-Chloro-8-nitro-naphthalene-1-carbonitrile
Property Insights of 5-Chloro-8-nitro-naphthalene-1-carbonitrile
The XLogP value of 3.27308 indicates that 5-Chloro-8-nitro-naphthalene-1-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-8-nitro-naphthalene-1-carbonitrile. Following Lipinski's Rule of Five, 5-Chloro-8-nitro-naphthalene-1-carbonitrile has 0 hydrogen bond donor(s) and 3 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 5-Chloro-8-nitro-naphthalene-1-carbonitrile?
The CAS number of 5-Chloro-8-nitro-naphthalene-1-carbonitrile is 165558-63-4.
What is the molecular formula of 5-Chloro-8-nitro-naphthalene-1-carbonitrile?
The molecular formula of 5-Chloro-8-nitro-naphthalene-1-carbonitrile is C11H5ClN2O2.
What is the molecular weight of 5-Chloro-8-nitro-naphthalene-1-carbonitrile?
The molecular weight of 5-Chloro-8-nitro-naphthalene-1-carbonitrile is 232.00 g/mol.
Where can I buy 5-Chloro-8-nitro-naphthalene-1-carbonitrile?
You can request a quote for 5-Chloro-8-nitro-naphthalene-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-8-nitro-naphthalene-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-8-nitro-naphthalene-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.