![9-(3,4-dimethoxyphenyl)-5-hexanoyl-6-(2-sec-butoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one structure](/static/products/1212/1212075-47-2.webp)
9-(3,4-dimethoxyphenyl)-5-hexanoyl-6-(2-sec-butoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
TL;DR: 9-(3,4-dimethoxyphenyl)-5-hexanoyl-6-(2-sec-butoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one (CAS 1212075-47-2) is a chemical compound with molecular formula C37H44N2O5 and molecular weight 596.33 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-hexanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 9-(3,4-dimethoxyphenyl)-5-hexanoyl-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}hexan-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)hexan-1-one, 3-(3,4-dimethoxyphenyl)-10-hexanoyl-11-[2-(methylpropoxy)phenyl]-2,3,4-trihydr o-5H,11H-benzo[b]benzo[2,1-f]1,4-diazepin-1-one, 6-(2-butan-2-yloxyphenyl)-9-(3,4-dimethoxyphenyl)-5-hexanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C37H44N2O5 |
|---|---|
| Molecular Weight | 596.33 g/mol |
| LogP | 8.362 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 596.325 |
| Heavy Atoms | 44 |
| Complexity | 1529.7784 |
Chemical Identifiers
| CAS Number | 1212075-47-2 |
|---|---|
| SMILES | CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C41)C5=CC=CC=C5OC(C)CC |
Product Overview
9-(3,4-dimethoxyphenyl)-5-hexanoyl-6-(2-sec-butoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one (CAS 1212075-47-2), with molecular formula C37H44N2O5 and molecular weight 596.33 g/mol. IUPAC: 6-(2-butan-2-yloxyphenyl)-9-(3,4-dimethoxyphenyl)-5-hexanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 9-(3,4-dimethoxyphenyl)-5-hexanoyl-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-hexanoyl-6-(2-sec-butoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
The XLogP value of 8.362 indicates that 9-(3,4-dimethoxyphenyl)-5-hexanoyl-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-hexanoyl-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-hexanoyl-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-hexanoyl-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-hexanoyl-6-(2-sec-butoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one is 1212075-47-2.
What is the molecular formula of 9-(3,4-dimethoxyphenyl)-5-hexanoyl-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-hexanoyl-6-(2-sec-butoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one is C37H44N2O5.
What is the molecular weight of 9-(3,4-dimethoxyphenyl)-5-hexanoyl-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-hexanoyl-6-(2-sec-butoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one is 596.33 g/mol.
Where can I buy 9-(3,4-dimethoxyphenyl)-5-hexanoyl-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-hexanoyl-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-hexanoyl-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-hexanoyl-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.