![methyl 4-(3-(3,4-dimethoxyphenyl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate structure](/static/products/627/627062-07-1.png)
methyl 4-(3-(3,4-dimethoxyphenyl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate
TL;DR: methyl 4-(3-(3,4-dimethoxyphenyl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate (CAS 627062-07-1) is a chemical compound with molecular formula C35H38N2O6 and molecular weight 582.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[9-(3,4-dimethoxyphenyl)-5-hexanoyl-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]benzoate
Also Known As: methyl 4-(3-(3,4-dimethoxyphenyl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate, methyl 4-[3-(3,4-dimethoxyphenyl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate, methyl 4-[9-(3,4-dimethoxyphenyl)-5-hexanoyl-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]benzoate
| Molecular Formula | C35H38N2O6 |
|---|---|
| Molecular Weight | 582.27 g/mol |
| LogP | 6.9713 |
| Topological Polar Surface Area | 94.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 582.273 |
| Heavy Atoms | 43 |
| Complexity | 1544.1327 |
Chemical Identifiers
| CAS Number | 627062-07-1 |
|---|---|
| SMILES | CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C41)C5=CC=C(C=C5)C(=O)OC |
Product Overview
methyl 4-(3-(3,4-dimethoxyphenyl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate (CAS 627062-07-1), with molecular formula C35H38N2O6 and molecular weight 582.27 g/mol. IUPAC: methyl 4-[9-(3,4-dimethoxyphenyl)-5-hexanoyl-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]benzoate.
Chemical Property Profile of methyl 4-(3-(3,4-dimethoxyphenyl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate
Property Insights of methyl 4-(3-(3,4-dimethoxyphenyl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate
The XLogP value of 6.9713 indicates that methyl 4-(3-(3,4-dimethoxyphenyl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-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 94.17 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(3-(3,4-dimethoxyphenyl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(3-(3,4-dimethoxyphenyl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate has 1 hydrogen bond donor(s) and 7 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-(3,4-dimethoxyphenyl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate?
The CAS number of methyl 4-(3-(3,4-dimethoxyphenyl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate is 627062-07-1.
What is the molecular formula of methyl 4-(3-(3,4-dimethoxyphenyl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate?
The molecular formula of methyl 4-(3-(3,4-dimethoxyphenyl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate is C35H38N2O6.
What is the molecular weight of methyl 4-(3-(3,4-dimethoxyphenyl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate?
The molecular weight of methyl 4-(3-(3,4-dimethoxyphenyl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate is 582.27 g/mol.
Where can I buy methyl 4-(3-(3,4-dimethoxyphenyl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate?
You can request a quote for methyl 4-(3-(3,4-dimethoxyphenyl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-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-(3,4-dimethoxyphenyl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(3-(3,4-dimethoxyphenyl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.