RefChem:349868
TL;DR: RefChem:349868 (CAS 82802-91-3) is a chemical compound with molecular formula C26H25ClN2O2 and molecular weight 432.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-12,13-dimethoxy-6-(4-methylphenyl)-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine
Also Known As: 3-Chloro-12,13-dimethoxy-6-(p-tolyl)-7,9,10,14b-tetrahydroisoquino(2,1-d)(1,4)benzodiazepine, Isoquino(2,1-d)(1,4)benzodiazepine, 7,9,10,14b-tetrahydro-3-chloro-12,13-dimethoxy-6-(p-tolyl)-, 3-chloro-12,13-dimethoxy-6-(4-methylphenyl)-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine, ISOQUINO(2,1-d)(1,4)BENZODIAZEPINE, 7,9,10,14b-TETRAHYDRO-3-CHLORO-12,13-DIMETHO, 5-chloro-16,17-dimethoxy-9-(4-methylphenyl)-8,11-diazatetracyclo[9.8.0.02,7.014,19]nonadeca-2,4,6,8,14(19),15,17-heptaene
| Molecular Formula | C26H25ClN2O2 |
|---|---|
| Molecular Weight | 432.16 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 432.16046 |
| Heavy Atoms | 31 |
| Complexity | 649.0 |
Chemical Identifiers
| CAS Number | 82802-91-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)C4C5=CC(=C(C=C5CCN4C2)OC)OC |
| InChIKey | KYERHVMBMFQSFC-UHFFFAOYSA-N |
Product Overview
RefChem:349868 (CAS 82802-91-3), with molecular formula C26H25ClN2O2 and molecular weight 432.16 g/mol. IUPAC: 3-chloro-12,13-dimethoxy-6-(4-methylphenyl)-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine.
Chemical Property Profile of RefChem:349868
Property Insights of RefChem:349868
The XLogP value of 5.6 indicates that RefChem:349868 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:349868 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349868 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:349868?
The CAS number of RefChem:349868 is 82802-91-3.
What is the molecular formula of RefChem:349868?
The molecular formula of RefChem:349868 is C26H25ClN2O2.
What is the molecular weight of RefChem:349868?
The molecular weight of RefChem:349868 is 432.16 g/mol.
Where can I buy RefChem:349868?
You can request a quote for RefChem:349868 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349868?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349868 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.