RefChem:349873
TL;DR: RefChem:349873 (CAS 82802-90-2) is a chemical compound with molecular formula C25H22BrClN2O2 and molecular weight 496.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-bromophenyl)-3-chloro-12,13-dimethoxy-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine
Also Known As: 6-(4-bromophenyl)-3-chloro-12,13-dimethoxy-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine, Isoquino(2,1-d)(1,4)benzodiazepine, 7,9,10,14b-tetrahydro-6-(p-bromophenyl)-3-chloro-12,13-dimethoxy-, ISOQUINO(2,1-d)(1,4)BENZODIAZEPINE, 7,9,10,14b-TETRAHYDRO-6-(p-BROMOPHENYL)-3-CH, 7,9,10,14b-Tetrahydro-6-(p-bromophenyl)-3-chloro-12,13-dimethoxyisoquino[2,1-d][1,4]benzodiazepine, 9-(4-bromophenyl)-5-chloro-16,17-dimethoxy-8,11-diazatetracyclo[9.8.0.02,7.014,19]nonadeca-2,4,6,8,14(19),15,17-heptaene
| Molecular Formula | C25H22BrClN2O2 |
|---|---|
| Molecular Weight | 496.06 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 496.05533 |
| Heavy Atoms | 31 |
| Complexity | 655.0 |
Chemical Identifiers
| CAS Number | 82802-90-2 |
|---|---|
| SMILES | COC1=C(C=C2C3C4=C(C=C(C=C4)Cl)N=C(CN3CCC2=C1)C5=CC=C(C=C5)Br)OC |
| InChIKey | OBTKTJQZOARFME-UHFFFAOYSA-N |
Product Overview
RefChem:349873 (CAS 82802-90-2), with molecular formula C25H22BrClN2O2 and molecular weight 496.06 g/mol. IUPAC: 6-(4-bromophenyl)-3-chloro-12,13-dimethoxy-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine.
Chemical Property Profile of RefChem:349873
Property Insights of RefChem:349873
The XLogP value of 6.0 indicates that RefChem:349873 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:349873 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349873 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:349873?
The CAS number of RefChem:349873 is 82802-90-2.
What is the molecular formula of RefChem:349873?
The molecular formula of RefChem:349873 is C25H22BrClN2O2.
What is the molecular weight of RefChem:349873?
The molecular weight of RefChem:349873 is 496.06 g/mol.
Where can I buy RefChem:349873?
You can request a quote for RefChem:349873 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349873?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349873 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.