![12,13-dimethoxy-6,6-dimethyl-1,3,5,6,7,9,10,14b-octahydroisoquino[2,1-a][1,5]benzodiazepine-2,4-dione structure](/static/products/895/895902-11-1.png)
12,13-dimethoxy-6,6-dimethyl-1,3,5,6,7,9,10,14b-octahydroisoquino[2,1-a][1,5]benzodiazepine-2,4-dione
TL;DR: 12,13-dimethoxy-6,6-dimethyl-1,3,5,6,7,9,10,14b-octahydroisoquino[2,1-a][1,5]benzodiazepine-2,4-dione (CAS 895902-11-1) is a chemical compound with molecular formula C21H26N2O4 and molecular weight 370.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14,15-dimethoxy-4,4-dimethyl-1,8-diazatetracyclo[9.8.0.02,7.012,17]nonadeca-2(7),12,14,16-tetraene-6,9-dione
Also Known As: 12,13-dimethoxy-6,6-dimethyl-1,3,5,6,7,9,10,14b-octahydroisoquino[2,1-a][1,5]benzodiazepine-2,4-dione, 12,13-dimethoxy-6,6-dimethyl-1,6,7,9,10,14b-hexahydrobenzo[2,3][1,4]diazepino[7,1-a]isoquinoline-2,4(3H,5H)-dione
| Molecular Formula | C21H26N2O4 |
|---|---|
| Molecular Weight | 370.19 g/mol |
| LogP | 2.7236 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 370.18927 |
| Heavy Atoms | 27 |
| Complexity | 855.9827 |
Chemical Identifiers
| CAS Number | 895902-11-1 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)NC(=O)CC3N2CCC4=CC(=C(C=C34)OC)OC)C |
Product Overview
12,13-dimethoxy-6,6-dimethyl-1,3,5,6,7,9,10,14b-octahydroisoquino[2,1-a][1,5]benzodiazepine-2,4-dione (CAS 895902-11-1), with molecular formula C21H26N2O4 and molecular weight 370.19 g/mol. IUPAC: 14,15-dimethoxy-4,4-dimethyl-1,8-diazatetracyclo[9.8.0.02,7.012,17]nonadeca-2(7),12,14,16-tetraene-6,9-dione.
Chemical Property Profile of 12,13-dimethoxy-6,6-dimethyl-1,3,5,6,7,9,10,14b-octahydroisoquino[2,1-a][1,5]benzodiazepine-2,4-dione
Property Insights of 12,13-dimethoxy-6,6-dimethyl-1,3,5,6,7,9,10,14b-octahydroisoquino[2,1-a][1,5]benzodiazepine-2,4-dione
The XLogP value of 2.7236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12,13-dimethoxy-6,6-dimethyl-1,3,5,6,7,9,10,14b-octahydroisoquino[2,1-a][1,5]benzodiazepine-2,4-dione. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 12,13-dimethoxy-6,6-dimethyl-1,3,5,6,7,9,10,14b-octahydroisoquino[2,1-a][1,5]benzodiazepine-2,4-dione. Following Lipinski's Rule of Five, 12,13-dimethoxy-6,6-dimethyl-1,3,5,6,7,9,10,14b-octahydroisoquino[2,1-a][1,5]benzodiazepine-2,4-dione has 1 hydrogen bond donor(s) and 5 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 12,13-dimethoxy-6,6-dimethyl-1,3,5,6,7,9,10,14b-octahydroisoquino[2,1-a][1,5]benzodiazepine-2,4-dione?
The CAS number of 12,13-dimethoxy-6,6-dimethyl-1,3,5,6,7,9,10,14b-octahydroisoquino[2,1-a][1,5]benzodiazepine-2,4-dione is 895902-11-1.
What is the molecular formula of 12,13-dimethoxy-6,6-dimethyl-1,3,5,6,7,9,10,14b-octahydroisoquino[2,1-a][1,5]benzodiazepine-2,4-dione?
The molecular formula of 12,13-dimethoxy-6,6-dimethyl-1,3,5,6,7,9,10,14b-octahydroisoquino[2,1-a][1,5]benzodiazepine-2,4-dione is C21H26N2O4.
What is the molecular weight of 12,13-dimethoxy-6,6-dimethyl-1,3,5,6,7,9,10,14b-octahydroisoquino[2,1-a][1,5]benzodiazepine-2,4-dione?
The molecular weight of 12,13-dimethoxy-6,6-dimethyl-1,3,5,6,7,9,10,14b-octahydroisoquino[2,1-a][1,5]benzodiazepine-2,4-dione is 370.19 g/mol.
Where can I buy 12,13-dimethoxy-6,6-dimethyl-1,3,5,6,7,9,10,14b-octahydroisoquino[2,1-a][1,5]benzodiazepine-2,4-dione?
You can request a quote for 12,13-dimethoxy-6,6-dimethyl-1,3,5,6,7,9,10,14b-octahydroisoquino[2,1-a][1,5]benzodiazepine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12,13-dimethoxy-6,6-dimethyl-1,3,5,6,7,9,10,14b-octahydroisoquino[2,1-a][1,5]benzodiazepine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 12,13-dimethoxy-6,6-dimethyl-1,3,5,6,7,9,10,14b-octahydroisoquino[2,1-a][1,5]benzodiazepine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.