![methyl 4-(3-(4-methoxyphenyl)-10-(3-methylbutanoyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate structure](/static/products/896/896812-68-3.png)
methyl 4-(3-(4-methoxyphenyl)-10-(3-methylbutanoyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate
TL;DR: methyl 4-(3-(4-methoxyphenyl)-10-(3-methylbutanoyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate (CAS 896812-68-3) is a chemical compound with molecular formula C33H34N2O5 and molecular weight 538.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[9-(4-methoxyphenyl)-5-(3-methylbutanoyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]benzoate
Also Known As: methyl 4-(3-(4-methoxyphenyl)-10-(3-methylbutanoyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate, methyl 4-[1-hydroxy-3-(4-methoxyphenyl)-10-(3-methylbutanoyl)-2,3,4-trihydro-1 1H-benzo[b]benzo[1,2-e]1,4-diazepin-11-yl]benzoate, methyl 4-[1-hydroxy-3-(4-methoxyphenyl)-10-(3-methylbutanoyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate, methyl 4-[9-(4-methoxyphenyl)-5-(3-methylbutanoyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]benzoate
| Molecular Formula | C33H34N2O5 |
|---|---|
| Molecular Weight | 538.25 g/mol |
| LogP | 6.4285 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 538.24677 |
| Heavy Atoms | 40 |
| Complexity | 1456.916 |
Chemical Identifiers
| CAS Number | 896812-68-3 |
|---|---|
| SMILES | CC(C)CC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)OC)NC4=CC=CC=C41)C5=CC=C(C=C5)C(=O)OC |
Product Overview
methyl 4-(3-(4-methoxyphenyl)-10-(3-methylbutanoyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate (CAS 896812-68-3), with molecular formula C33H34N2O5 and molecular weight 538.25 g/mol. IUPAC: methyl 4-[9-(4-methoxyphenyl)-5-(3-methylbutanoyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]benzoate.
Chemical Property Profile of methyl 4-(3-(4-methoxyphenyl)-10-(3-methylbutanoyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate
Property Insights of methyl 4-(3-(4-methoxyphenyl)-10-(3-methylbutanoyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate
The XLogP value of 6.4285 indicates that methyl 4-(3-(4-methoxyphenyl)-10-(3-methylbutanoyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(3-(4-methoxyphenyl)-10-(3-methylbutanoyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(3-(4-methoxyphenyl)-10-(3-methylbutanoyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate 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 methyl 4-(3-(4-methoxyphenyl)-10-(3-methylbutanoyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate?
The CAS number of methyl 4-(3-(4-methoxyphenyl)-10-(3-methylbutanoyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate is 896812-68-3.
What is the molecular formula of methyl 4-(3-(4-methoxyphenyl)-10-(3-methylbutanoyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate?
The molecular formula of methyl 4-(3-(4-methoxyphenyl)-10-(3-methylbutanoyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate is C33H34N2O5.
What is the molecular weight of methyl 4-(3-(4-methoxyphenyl)-10-(3-methylbutanoyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate?
The molecular weight of methyl 4-(3-(4-methoxyphenyl)-10-(3-methylbutanoyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate is 538.25 g/mol.
Where can I buy methyl 4-(3-(4-methoxyphenyl)-10-(3-methylbutanoyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate?
You can request a quote for methyl 4-(3-(4-methoxyphenyl)-10-(3-methylbutanoyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(3-(4-methoxyphenyl)-10-(3-methylbutanoyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(3-(4-methoxyphenyl)-10-(3-methylbutanoyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.