RefChem:349869
TL;DR: RefChem:349869 (CAS 82802-94-6) is a chemical compound with molecular formula C34H34N2O5 and molecular weight 550.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,12,13-pentamethoxy-6-(4-phenylphenyl)-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine
Also Known As: 6-(4-Biphenylyl)-2,3,4,12,13-pentamethoxy-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)-2,3,4,12,13-pentamethoxy-, 6- -2,3,4,12,13-pentamethoxy-9,10-dihydro-7H-isoquino benzodiazepine, 6-2,3,4,12,13-pentamethoxy-9,10-dihydro-7h-isoquino benzodiazepine, 2,3,4,12,13-pentamethoxy-6-(4-phenylphenyl)-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine
| Molecular Formula | C34H34N2O5 |
|---|---|
| Molecular Weight | 550.25 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 550.24677 |
| Heavy Atoms | 41 |
| Complexity | 871.0 |
Chemical Identifiers
| CAS Number | 82802-94-6 |
|---|---|
| SMILES | COC1=C(C=C2C3C4=CC(=C(C(=C4N=C(CN3CCC2=C1)C5=CC=C(C=C5)C6=CC=CC=C6)OC)OC)OC)OC |
| InChIKey | WIUJZGWUYXSHFM-UHFFFAOYSA-N |
Product Overview
RefChem:349869 (CAS 82802-94-6), with molecular formula C34H34N2O5 and molecular weight 550.25 g/mol. IUPAC: 2,3,4,12,13-pentamethoxy-6-(4-phenylphenyl)-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine.
Chemical Property Profile of RefChem:349869
Property Insights of RefChem:349869
The XLogP value of 6.2 indicates that RefChem:349869 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:349869. Following Lipinski's Rule of Five, RefChem:349869 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:349869?
The CAS number of RefChem:349869 is 82802-94-6.
What is the molecular formula of RefChem:349869?
The molecular formula of RefChem:349869 is C34H34N2O5.
What is the molecular weight of RefChem:349869?
The molecular weight of RefChem:349869 is 550.25 g/mol.
Where can I buy RefChem:349869?
You can request a quote for RefChem:349869 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349869?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349869 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.