9-Chloro-2,3-dihydro-1H-(1,4)diazepino(6,5-c)quinolin-6-yl methyl sulfide
TL;DR: 9-Chloro-2,3-dihydro-1H-(1,4)diazepino(6,5-c)quinolin-6-yl methyl sulfide (CAS 65482-47-5) is a chemical compound with molecular formula C13H12ClN3S and molecular weight 277.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-chloro-6-methylsulfanyl-2,3-dihydro-1H-[1,4]diazepino[6,5-c]quinoline
Also Known As: 9-Chloro-2,3-dihydro-1H-(1,4)diazepino(6,5-c)quinolin-6-yl methyl sulfide, 9-Borabicyclo[3.3.1]nonane,9-(2,4,6-trimethylphenyl), 9-chloro-6-methylsulfanyl-2,3-dihydro-1H-[1,4]diazepino[6,5-c]quinoline, 9-Chloro-6-(methylthio)-2,3-dihydro-1H-[1,4]diazepino[6,5-c]quinoline, 9-chloro-6-methylsulfanyl-2,3-dihydro-1H-[1,4]diazepino[6,5-
| Molecular Formula | C13H12ClN3S |
|---|---|
| Molecular Weight | 277.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 277.04404 |
| Heavy Atoms | 18 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 65482-47-5 |
|---|---|
| SMILES | CSC1=NC2=C(C=CC(=C2)Cl)C3=C1C=NCCN3 |
| InChIKey | YYESKUBJYNVBHN-UHFFFAOYSA-N |
Product Overview
9-Chloro-2,3-dihydro-1H-(1,4)diazepino(6,5-c)quinolin-6-yl methyl sulfide (CAS 65482-47-5), with molecular formula C13H12ClN3S and molecular weight 277.04 g/mol. IUPAC: 9-chloro-6-methylsulfanyl-2,3-dihydro-1H-[1,4]diazepino[6,5-c]quinoline.
Chemical Property Profile of 9-Chloro-2,3-dihydro-1H-(1,4)diazepino(6,5-c)quinolin-6-yl methyl sulfide
Property Insights of 9-Chloro-2,3-dihydro-1H-(1,4)diazepino(6,5-c)quinolin-6-yl methyl sulfide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Chloro-2,3-dihydro-1H-(1,4)diazepino(6,5-c)quinolin-6-yl methyl sulfide. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Chloro-2,3-dihydro-1H-(1,4)diazepino(6,5-c)quinolin-6-yl methyl sulfide. Following Lipinski's Rule of Five, 9-Chloro-2,3-dihydro-1H-(1,4)diazepino(6,5-c)quinolin-6-yl methyl sulfide has 1 hydrogen bond donor(s) and 4 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 9-Chloro-2,3-dihydro-1H-(1,4)diazepino(6,5-c)quinolin-6-yl methyl sulfide?
The CAS number of 9-Chloro-2,3-dihydro-1H-(1,4)diazepino(6,5-c)quinolin-6-yl methyl sulfide is 65482-47-5.
What is the molecular formula of 9-Chloro-2,3-dihydro-1H-(1,4)diazepino(6,5-c)quinolin-6-yl methyl sulfide?
The molecular formula of 9-Chloro-2,3-dihydro-1H-(1,4)diazepino(6,5-c)quinolin-6-yl methyl sulfide is C13H12ClN3S.
What is the molecular weight of 9-Chloro-2,3-dihydro-1H-(1,4)diazepino(6,5-c)quinolin-6-yl methyl sulfide?
The molecular weight of 9-Chloro-2,3-dihydro-1H-(1,4)diazepino(6,5-c)quinolin-6-yl methyl sulfide is 277.04 g/mol.
Where can I buy 9-Chloro-2,3-dihydro-1H-(1,4)diazepino(6,5-c)quinolin-6-yl methyl sulfide?
You can request a quote for 9-Chloro-2,3-dihydro-1H-(1,4)diazepino(6,5-c)quinolin-6-yl methyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Chloro-2,3-dihydro-1H-(1,4)diazepino(6,5-c)quinolin-6-yl methyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 9-Chloro-2,3-dihydro-1H-(1,4)diazepino(6,5-c)quinolin-6-yl methyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.