8-Chloro-1-methyl-3-hydroxy-6-(2-chlorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazocine
TL;DR: 8-Chloro-1-methyl-3-hydroxy-6-(2-chlorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazocine (CAS 54729-23-6) is a chemical compound with molecular formula C17H16Cl2N2O and molecular weight 334.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-6-(2-chlorophenyl)-1-methyl-3,4-dihydro-2H-1,5-benzodiazocin-3-ol
Also Known As: 8-Chloro-1-methyl-3-hydroxy-6-(2-chlorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazocine, 1,2,3,4-Tetrahydro-8-chloro-6-(2-chlorophenyl)-1-methyl-1,5-benzodiazocin-3-ol, 1,5-Benzodiazocin-3-ol, 1,2,3,4-tetrahydro-8-chloro-6-(2-chlorophenyl)-1-methyl-, 8-chloro-6-(2-chlorophenyl)-1-methyl-3,4-dihydro-2H-1,5-benzodiazocin-3-ol, BRN 0760942
| Molecular Formula | C17H16Cl2N2O |
|---|---|
| Molecular Weight | 334.06 g/mol |
| LogP | 3.6415 |
| Topological Polar Surface Area | 35.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 334.06396 |
| Heavy Atoms | 22 |
| Complexity | 730.34894 |
Chemical Identifiers
| CAS Number | 54729-23-6 |
|---|---|
| SMILES | CN1CC(CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3Cl)O |
Product Overview
8-Chloro-1-methyl-3-hydroxy-6-(2-chlorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazocine (CAS 54729-23-6), with molecular formula C17H16Cl2N2O and molecular weight 334.06 g/mol. IUPAC: 8-chloro-6-(2-chlorophenyl)-1-methyl-3,4-dihydro-2H-1,5-benzodiazocin-3-ol.
Chemical Property Profile of 8-Chloro-1-methyl-3-hydroxy-6-(2-chlorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazocine
Property Insights of 8-Chloro-1-methyl-3-hydroxy-6-(2-chlorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazocine
The XLogP value of 3.6415 indicates that 8-Chloro-1-methyl-3-hydroxy-6-(2-chlorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazocine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.83 Ų, 8-Chloro-1-methyl-3-hydroxy-6-(2-chlorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazocine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Chloro-1-methyl-3-hydroxy-6-(2-chlorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazocine has 1 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 8-Chloro-1-methyl-3-hydroxy-6-(2-chlorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazocine?
The CAS number of 8-Chloro-1-methyl-3-hydroxy-6-(2-chlorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazocine is 54729-23-6.
What is the molecular formula of 8-Chloro-1-methyl-3-hydroxy-6-(2-chlorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazocine?
The molecular formula of 8-Chloro-1-methyl-3-hydroxy-6-(2-chlorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazocine is C17H16Cl2N2O.
What is the molecular weight of 8-Chloro-1-methyl-3-hydroxy-6-(2-chlorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazocine?
The molecular weight of 8-Chloro-1-methyl-3-hydroxy-6-(2-chlorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazocine is 334.06 g/mol.
Where can I buy 8-Chloro-1-methyl-3-hydroxy-6-(2-chlorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazocine?
You can request a quote for 8-Chloro-1-methyl-3-hydroxy-6-(2-chlorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazocine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Chloro-1-methyl-3-hydroxy-6-(2-chlorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazocine?
Yes, KEHONG BIO provides custom synthesis services for 8-Chloro-1-methyl-3-hydroxy-6-(2-chlorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazocine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.