RefChem:349848
TL;DR: RefChem:349848 (CAS 54971-42-5) is a chemical compound with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethyl-12,13-dimethoxy-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one
Also Known As: Isoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-12,13-dimethoxy-7-ethyl-, 12,13-Dimethoxy-7-ethyl-5,9,10-14b-tetrahydroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 7-Ethyl-12,13-dimethoxy-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6-ol, 10-ethyl-16,17-dimethoxy-8,11-diazatetracyclo[9.8.0.02,7.014,19]nonadeca-2,4,6,14,16,18-hexaen-9-one, 5,9,10,14b-Tetrahydro-12,13-dimethoxy-7-ethylisoquino[2,1-d][1,4]benzodiazepin-6(7H)-one
| Molecular Formula | C21H24N2O3 |
|---|---|
| Molecular Weight | 352.18 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.17868 |
| Heavy Atoms | 26 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 54971-42-5 |
|---|---|
| SMILES | CCC1C(=O)NC2=CC=CC=C2C3N1CCC4=CC(=C(C=C34)OC)OC |
| InChIKey | MJRBITKFRUYHCC-UHFFFAOYSA-N |
Product Overview
RefChem:349848 (CAS 54971-42-5), with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol. IUPAC: 7-ethyl-12,13-dimethoxy-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one.
Chemical Property Profile of RefChem:349848
Property Insights of RefChem:349848
The XLogP value of 3.3 indicates that RefChem:349848 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, RefChem:349848 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349848 has 1 hydrogen bond donor(s) and 4 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 RefChem:349848?
The CAS number of RefChem:349848 is 54971-42-5.
What is the molecular formula of RefChem:349848?
The molecular formula of RefChem:349848 is C21H24N2O3.
What is the molecular weight of RefChem:349848?
The molecular weight of RefChem:349848 is 352.18 g/mol.
Where can I buy RefChem:349848?
You can request a quote for RefChem:349848 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349848?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349848 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.