![5-hexanoyl-9-(4-methylphenyl)-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one structure](/static/products/4385/438533-31-4.webp)
5-hexanoyl-9-(4-methylphenyl)-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
TL;DR: 5-hexanoyl-9-(4-methylphenyl)-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one (CAS 438533-31-4) is a chemical compound with molecular formula C32H33N3O4 and molecular weight 523.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hexanoyl-9-(4-methylphenyl)-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 5-hexanoyl-9-(4-methylphenyl)-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one, 10-hexanoyl-11-{3-nitrophenyl}-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 10-hexanoyl-3-(4-methylphenyl)-11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C32H33N3O4 |
|---|---|
| Molecular Weight | 523.25 g/mol |
| LogP | 7.38412 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 523.24713 |
| Heavy Atoms | 39 |
| Complexity | 1443.778 |
Chemical Identifiers
| CAS Number | 438533-31-4 |
|---|---|
| SMILES | CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)C)NC4=CC=CC=C41)C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
5-hexanoyl-9-(4-methylphenyl)-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one (CAS 438533-31-4), with molecular formula C32H33N3O4 and molecular weight 523.25 g/mol. IUPAC: 5-hexanoyl-9-(4-methylphenyl)-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 5-hexanoyl-9-(4-methylphenyl)-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Property Insights of 5-hexanoyl-9-(4-methylphenyl)-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
The XLogP value of 7.38412 indicates that 5-hexanoyl-9-(4-methylphenyl)-6-(3-nitrophenyl)-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 92.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-hexanoyl-9-(4-methylphenyl)-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one. Following Lipinski's Rule of Five, 5-hexanoyl-9-(4-methylphenyl)-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-hexanoyl-9-(4-methylphenyl)-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one?
The CAS number of 5-hexanoyl-9-(4-methylphenyl)-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one is 438533-31-4.
What is the molecular formula of 5-hexanoyl-9-(4-methylphenyl)-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one?
The molecular formula of 5-hexanoyl-9-(4-methylphenyl)-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one is C32H33N3O4.
What is the molecular weight of 5-hexanoyl-9-(4-methylphenyl)-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one?
The molecular weight of 5-hexanoyl-9-(4-methylphenyl)-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one is 523.25 g/mol.
Where can I buy 5-hexanoyl-9-(4-methylphenyl)-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one?
You can request a quote for 5-hexanoyl-9-(4-methylphenyl)-6-(3-nitrophenyl)-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 5-hexanoyl-9-(4-methylphenyl)-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 5-hexanoyl-9-(4-methylphenyl)-6-(3-nitrophenyl)-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.