RefChem:349850
TL;DR: RefChem:349850 (CAS 41334-72-9) is a chemical compound with molecular formula C20H22N2O3 and molecular weight 338.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,13-dimethoxy-7-methyl-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-methyl-, 12,13-Dimethoxy-7-methyl-5,9,10,14b-tetrahydroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 12,13-Dimethoxy-7-methyl-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6-ol, 12,13-dimethoxy-7-methyl-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one, 16,17-dimethoxy-10-methyl-8,11-diazatetracyclo[9.8.0.02,7.014,19]nonadeca-2,4,6,14(19),15,17-hexaen-9-one
| Molecular Formula | C20H22N2O3 |
|---|---|
| Molecular Weight | 338.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.16306 |
| Heavy Atoms | 25 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 41334-72-9 |
|---|---|
| SMILES | CC1C(=O)NC2=CC=CC=C2C3N1CCC4=CC(=C(C=C34)OC)OC |
| InChIKey | YIXXWASCESMOPY-UHFFFAOYSA-N |
Product Overview
RefChem:349850 (CAS 41334-72-9), with molecular formula C20H22N2O3 and molecular weight 338.16 g/mol. IUPAC: 12,13-dimethoxy-7-methyl-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one.
Chemical Property Profile of RefChem:349850
Property Insights of RefChem:349850
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:349850. With a topological polar surface area (TPSA) of 50.8 Ų, RefChem:349850 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349850 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:349850?
The CAS number of RefChem:349850 is 41334-72-9.
What is the molecular formula of RefChem:349850?
The molecular formula of RefChem:349850 is C20H22N2O3.
What is the molecular weight of RefChem:349850?
The molecular weight of RefChem:349850 is 338.16 g/mol.
Where can I buy RefChem:349850?
You can request a quote for RefChem:349850 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349850?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349850 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.