![3-chloro-10-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-5,10-dihydrobenzo[b][1,6]naphthyridine-4-carbonitrile structure](/static/products/655/655240-86-1.png)
3-chloro-10-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-5,10-dihydrobenzo[b][1,6]naphthyridine-4-carbonitrile
TL;DR: 3-chloro-10-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-5,10-dihydrobenzo[b][1,6]naphthyridine-4-carbonitrile (CAS 655240-86-1) is a chemical compound with molecular formula C21H18ClN3O2 and molecular weight 379.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-10-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-5,10-dihydrobenzo[b][1,6]naphthyridine-4-carbonitrile
Also Known As: 3-chloro-10-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-5,10-dihydrobenzo[b][1,6]naphthyridine-4-carbonitrile, 3-chloro-10-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-5,10-dihydrobenzo[b][1,6]naphthyridine-4-carbonitrile
| Molecular Formula | C21H18ClN3O2 |
|---|---|
| Molecular Weight | 379.11 g/mol |
| LogP | 4.99678 |
| Topological Polar Surface Area | 86.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 379.10876 |
| Heavy Atoms | 27 |
| Complexity | 1049.8777 |
Chemical Identifiers
| CAS Number | 655240-86-1 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)C2C3=CC=CC=C3NC4=C(C(=NC=C24)Cl)C#N)O)C |
Product Overview
3-chloro-10-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-5,10-dihydrobenzo[b][1,6]naphthyridine-4-carbonitrile (CAS 655240-86-1), with molecular formula C21H18ClN3O2 and molecular weight 379.11 g/mol. IUPAC: 3-chloro-10-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-5,10-dihydrobenzo[b][1,6]naphthyridine-4-carbonitrile.
Chemical Property Profile of 3-chloro-10-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-5,10-dihydrobenzo[b][1,6]naphthyridine-4-carbonitrile
Property Insights of 3-chloro-10-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-5,10-dihydrobenzo[b][1,6]naphthyridine-4-carbonitrile
The XLogP value of 4.99678 indicates that 3-chloro-10-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-5,10-dihydrobenzo[b][1,6]naphthyridine-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-10-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-5,10-dihydrobenzo[b][1,6]naphthyridine-4-carbonitrile. Following Lipinski's Rule of Five, 3-chloro-10-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-5,10-dihydrobenzo[b][1,6]naphthyridine-4-carbonitrile has 2 hydrogen bond donor(s) and 5 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-chloro-10-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-5,10-dihydrobenzo[b][1,6]naphthyridine-4-carbonitrile?
The CAS number of 3-chloro-10-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-5,10-dihydrobenzo[b][1,6]naphthyridine-4-carbonitrile is 655240-86-1.
What is the molecular formula of 3-chloro-10-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-5,10-dihydrobenzo[b][1,6]naphthyridine-4-carbonitrile?
The molecular formula of 3-chloro-10-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-5,10-dihydrobenzo[b][1,6]naphthyridine-4-carbonitrile is C21H18ClN3O2.
What is the molecular weight of 3-chloro-10-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-5,10-dihydrobenzo[b][1,6]naphthyridine-4-carbonitrile?
The molecular weight of 3-chloro-10-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-5,10-dihydrobenzo[b][1,6]naphthyridine-4-carbonitrile is 379.11 g/mol.
Where can I buy 3-chloro-10-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-5,10-dihydrobenzo[b][1,6]naphthyridine-4-carbonitrile?
You can request a quote for 3-chloro-10-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-5,10-dihydrobenzo[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-chloro-10-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-5,10-dihydrobenzo[b][1,6]naphthyridine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-10-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-5,10-dihydrobenzo[b][1,6]naphthyridine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.