![3-Chlorobenzo[b][1,6]naphthyridine-4-carbonitrile structure](/static/products/1048/104802-98-4.webp)
3-Chlorobenzo[b][1,6]naphthyridine-4-carbonitrile
TL;DR: 3-Chlorobenzo[b][1,6]naphthyridine-4-carbonitrile (CAS 104802-98-4) is a chemical compound with molecular formula C13H6ClN3 and molecular weight 239.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chlorobenzo[b][1,6]naphthyridine-4-carbonitrile
Also Known As: 3-Chlorobenzo[b][1,6]naphthyridine-4-carbonitrile, 3-chloro-4-cyanobenzo[b][1,6]naphthyridine, 3-chloro-4-cyanobenzo[b]-1,6-naphthyridine, AH-262/34902026, Benzob1,6naphthyridine-4-carbonitrile, 3-chloro-?
| Molecular Formula | C13H6ClN3 |
|---|---|
| Molecular Weight | 239.03 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 239.02502 |
| Heavy Atoms | 17 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 104802-98-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C3C=NC(=C(C3=N2)C#N)Cl |
| InChIKey | FDXPJUZQXQATBN-UHFFFAOYSA-N |
Product Overview
3-Chlorobenzo[b][1,6]naphthyridine-4-carbonitrile (CAS 104802-98-4), with molecular formula C13H6ClN3 and molecular weight 239.03 g/mol. IUPAC: 3-chlorobenzo[b][1,6]naphthyridine-4-carbonitrile.
Chemical Property Profile of 3-Chlorobenzo[b][1,6]naphthyridine-4-carbonitrile
Property Insights of 3-Chlorobenzo[b][1,6]naphthyridine-4-carbonitrile
The XLogP value of 3.1 indicates that 3-Chlorobenzo[b][1,6]naphthyridine-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.6 Ų, 3-Chlorobenzo[b][1,6]naphthyridine-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chlorobenzo[b][1,6]naphthyridine-4-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 3-Chlorobenzo[b][1,6]naphthyridine-4-carbonitrile?
The CAS number of 3-Chlorobenzo[b][1,6]naphthyridine-4-carbonitrile is 104802-98-4.
What is the molecular formula of 3-Chlorobenzo[b][1,6]naphthyridine-4-carbonitrile?
The molecular formula of 3-Chlorobenzo[b][1,6]naphthyridine-4-carbonitrile is C13H6ClN3.
What is the molecular weight of 3-Chlorobenzo[b][1,6]naphthyridine-4-carbonitrile?
The molecular weight of 3-Chlorobenzo[b][1,6]naphthyridine-4-carbonitrile is 239.03 g/mol.
Where can I buy 3-Chlorobenzo[b][1,6]naphthyridine-4-carbonitrile?
You can request a quote for 3-Chlorobenzo[b][1,6]naphthyridine-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chlorobenzo[b][1,6]naphthyridine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Chlorobenzo[b][1,6]naphthyridine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.