RefChem:349870
TL;DR: RefChem:349870 (CAS 62206-01-3) is a chemical compound with molecular formula C31H27ClN2O2 and molecular weight 494.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-12,13-dimethoxy-6-(4-phenylphenyl)-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine
Also Known As: 6-(4-Biphenylyl)-2-chloro-12,13-dimethoxy-9,10-dihydro-7H-isoquino(2,1-d)(1,4)benzodiazepine, Isoquino(2,1-d)(1,4)benzodiazepine, 7,9,10,14b-tetrahydro-6-(4-biphenylyl)-2-chloro-12,13-dimethoxy-, 2-chloro-12,13-dimethoxy-6-(4-phenylphenyl)-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine, 6-([1,1'-Biphenyl]-4-yl)-2-chloro-12,13-dimethoxy-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine, 7,9,10,14b-Tetrahydro-6-(4-biphenylyl)-2-chloro-12,13-dimethoxyisoquino[2,1-d][1,4]benzodiazepine
| Molecular Formula | C31H27ClN2O2 |
|---|---|
| Molecular Weight | 494.18 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 494.17612 |
| Heavy Atoms | 36 |
| Complexity | 762.0 |
Chemical Identifiers
| CAS Number | 62206-01-3 |
|---|---|
| SMILES | COC1=C(C=C2C3C4=C(C=CC(=C4)Cl)N=C(CN3CCC2=C1)C5=CC=C(C=C5)C6=CC=CC=C6)OC |
| InChIKey | QWAGTWRYZAUENB-UHFFFAOYSA-N |
Product Overview
RefChem:349870 (CAS 62206-01-3), with molecular formula C31H27ClN2O2 and molecular weight 494.18 g/mol. IUPAC: 2-chloro-12,13-dimethoxy-6-(4-phenylphenyl)-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine.
Chemical Property Profile of RefChem:349870
Property Insights of RefChem:349870
The XLogP value of 6.9 indicates that RefChem:349870 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, RefChem:349870 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349870 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:349870?
The CAS number of RefChem:349870 is 62206-01-3.
What is the molecular formula of RefChem:349870?
The molecular formula of RefChem:349870 is C31H27ClN2O2.
What is the molecular weight of RefChem:349870?
The molecular weight of RefChem:349870 is 494.18 g/mol.
Where can I buy RefChem:349870?
You can request a quote for RefChem:349870 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349870?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349870 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.