2-Chloro-5,6,7,9,10,14B-hexahydro-5-methylisoquino(2,1-D)(1,4)benzodiazepine
TL;DR: 2-Chloro-5,6,7,9,10,14B-hexahydro-5-methylisoquino(2,1-D)(1,4)benzodiazepine (CAS 17617-11-7) is a chemical compound with molecular formula C18H19ClN2 and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-methyl-7,9,10,14b-tetrahydro-6H-isoquinolino[2,1-d][1,4]benzodiazepine
Also Known As: 2-Chloro-5,6,7,9,10,14b-hexahydro-5-methylisoquino[2,1-d][1,4]benzodiazepine, TL-004/43519157, 2-Chloro-5-methyl-6,7,9,10-tetrahydro-5H-isoquino(2,1-d)(1,4)benzodiazepine, 2-chloro-5-methyl-7,9,10,14b-tetrahydro-6H-isoquinolino[2,1-d][1,4]benzodiazepine, D-2-Chloro-5-methyl-6,7,9,10-tetrahydro-5H-isoquino(2,1-d)(1,4)benzodiazepine
| Molecular Formula | C18H19ClN2 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 298.1237 |
| Heavy Atoms | 21 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 17617-11-7 |
|---|---|
| SMILES | CN1CCN2CCC3=CC=CC=C3C2C4=C1C=CC(=C4)Cl |
| InChIKey | VJIOOEKUNBUDGM-UHFFFAOYSA-N |
Product Overview
2-Chloro-5,6,7,9,10,14B-hexahydro-5-methylisoquino(2,1-D)(1,4)benzodiazepine (CAS 17617-11-7), with molecular formula C18H19ClN2 and molecular weight 298.12 g/mol. IUPAC: 2-chloro-5-methyl-7,9,10,14b-tetrahydro-6H-isoquinolino[2,1-d][1,4]benzodiazepine.
Chemical Property Profile of 2-Chloro-5,6,7,9,10,14B-hexahydro-5-methylisoquino(2,1-D)(1,4)benzodiazepine
Property Insights of 2-Chloro-5,6,7,9,10,14B-hexahydro-5-methylisoquino(2,1-D)(1,4)benzodiazepine
The XLogP value of 4.0 indicates that 2-Chloro-5,6,7,9,10,14B-hexahydro-5-methylisoquino(2,1-D)(1,4)benzodiazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.5 Ų, 2-Chloro-5,6,7,9,10,14B-hexahydro-5-methylisoquino(2,1-D)(1,4)benzodiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-5,6,7,9,10,14B-hexahydro-5-methylisoquino(2,1-D)(1,4)benzodiazepine 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 2-Chloro-5,6,7,9,10,14B-hexahydro-5-methylisoquino(2,1-D)(1,4)benzodiazepine?
The CAS number of 2-Chloro-5,6,7,9,10,14B-hexahydro-5-methylisoquino(2,1-D)(1,4)benzodiazepine is 17617-11-7.
What is the molecular formula of 2-Chloro-5,6,7,9,10,14B-hexahydro-5-methylisoquino(2,1-D)(1,4)benzodiazepine?
The molecular formula of 2-Chloro-5,6,7,9,10,14B-hexahydro-5-methylisoquino(2,1-D)(1,4)benzodiazepine is C18H19ClN2.
What is the molecular weight of 2-Chloro-5,6,7,9,10,14B-hexahydro-5-methylisoquino(2,1-D)(1,4)benzodiazepine?
The molecular weight of 2-Chloro-5,6,7,9,10,14B-hexahydro-5-methylisoquino(2,1-D)(1,4)benzodiazepine is 298.12 g/mol.
Where can I buy 2-Chloro-5,6,7,9,10,14B-hexahydro-5-methylisoquino(2,1-D)(1,4)benzodiazepine?
You can request a quote for 2-Chloro-5,6,7,9,10,14B-hexahydro-5-methylisoquino(2,1-D)(1,4)benzodiazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-5,6,7,9,10,14B-hexahydro-5-methylisoquino(2,1-D)(1,4)benzodiazepine?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5,6,7,9,10,14B-hexahydro-5-methylisoquino(2,1-D)(1,4)benzodiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.