![9-(3,4-dimethoxyphenyl)-5-propanoyl-6-(2-sec-butoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one structure](/static/products/1212/1212380-07-8.webp)
9-(3,4-dimethoxyphenyl)-5-propanoyl-6-(2-sec-butoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
TL;DR: 9-(3,4-dimethoxyphenyl)-5-propanoyl-6-(2-sec-butoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one (CAS 1212380-07-8) is a chemical compound with molecular formula C34H38N2O5 and molecular weight 554.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-butan-2-yloxyphenyl)-9-(3,4-dimethoxyphenyl)-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 9-(3,4-dimethoxyphenyl)-5-propanoyl-6-(2-sec-butoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one, 1-{11-[2-(butan-2-yloxy)phenyl]-3-(3,4-dimethoxyphenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one, 11-[2-(butan-2-yloxy)phenyl]-3-(3,4-dimethoxyphenyl)-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 1-(11-(2-(sec-butoxy)phenyl)-3-(3,4-dimethoxyphenyl)-1-hydroxy-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)propan-1-one, 11-(2-sec-butoxyphenyl)-3-(3,4-dimethoxyphenyl)-10-propionyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
| Molecular Formula | C34H38N2O5 |
|---|---|
| Molecular Weight | 554.28 g/mol |
| LogP | 7.1917 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 554.2781 |
| Heavy Atoms | 41 |
| Complexity | 1479.4413 |
Chemical Identifiers
| CAS Number | 1212380-07-8 |
|---|---|
| SMILES | CCC(C)OC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC5=CC=CC=C5N2C(=O)CC |
Product Overview
9-(3,4-dimethoxyphenyl)-5-propanoyl-6-(2-sec-butoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one (CAS 1212380-07-8), with molecular formula C34H38N2O5 and molecular weight 554.28 g/mol. IUPAC: 6-(2-butan-2-yloxyphenyl)-9-(3,4-dimethoxyphenyl)-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 9-(3,4-dimethoxyphenyl)-5-propanoyl-6-(2-sec-butoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Property Insights of 9-(3,4-dimethoxyphenyl)-5-propanoyl-6-(2-sec-butoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
The XLogP value of 7.1917 indicates that 9-(3,4-dimethoxyphenyl)-5-propanoyl-6-(2-sec-butoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(3,4-dimethoxyphenyl)-5-propanoyl-6-(2-sec-butoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one. Following Lipinski's Rule of Five, 9-(3,4-dimethoxyphenyl)-5-propanoyl-6-(2-sec-butoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-(3,4-dimethoxyphenyl)-5-propanoyl-6-(2-sec-butoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one?
The CAS number of 9-(3,4-dimethoxyphenyl)-5-propanoyl-6-(2-sec-butoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one is 1212380-07-8.
What is the molecular formula of 9-(3,4-dimethoxyphenyl)-5-propanoyl-6-(2-sec-butoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one?
The molecular formula of 9-(3,4-dimethoxyphenyl)-5-propanoyl-6-(2-sec-butoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one is C34H38N2O5.
What is the molecular weight of 9-(3,4-dimethoxyphenyl)-5-propanoyl-6-(2-sec-butoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one?
The molecular weight of 9-(3,4-dimethoxyphenyl)-5-propanoyl-6-(2-sec-butoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one is 554.28 g/mol.
Where can I buy 9-(3,4-dimethoxyphenyl)-5-propanoyl-6-(2-sec-butoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one?
You can request a quote for 9-(3,4-dimethoxyphenyl)-5-propanoyl-6-(2-sec-butoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(3,4-dimethoxyphenyl)-5-propanoyl-6-(2-sec-butoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 9-(3,4-dimethoxyphenyl)-5-propanoyl-6-(2-sec-butoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.