![methyl 4-(10-hexanoyl-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate structure](/static/products/579/579442-66-3.png)
methyl 4-(10-hexanoyl-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate
TL;DR: methyl 4-(10-hexanoyl-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate (CAS 579442-66-3) is a chemical compound with molecular formula C29H34N2O4 and molecular weight 474.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(5-hexanoyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-6-yl)benzoate
Also Known As: methyl 4-(10-hexanoyl-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate, methyl 4-(10-hexanoyl-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate, methyl 4-(5-hexanoyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-6-yl)benzoate
| Molecular Formula | C29H34N2O4 |
|---|---|
| Molecular Weight | 474.25 g/mol |
| LogP | 6.1965 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.25186 |
| Heavy Atoms | 35 |
| Complexity | 1163.4592 |
Chemical Identifiers
| CAS Number | 579442-66-3 |
|---|---|
| SMILES | CCCCCC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(C=C4)C(=O)OC |
Product Overview
methyl 4-(10-hexanoyl-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate (CAS 579442-66-3), with molecular formula C29H34N2O4 and molecular weight 474.25 g/mol. IUPAC: methyl 4-(5-hexanoyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-6-yl)benzoate.
Chemical Property Profile of methyl 4-(10-hexanoyl-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate
Property Insights of methyl 4-(10-hexanoyl-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate
The XLogP value of 6.1965 indicates that methyl 4-(10-hexanoyl-1-hydroxy-3,3-dimethyl-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 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(10-hexanoyl-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(10-hexanoyl-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate 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 methyl 4-(10-hexanoyl-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate?
The CAS number of methyl 4-(10-hexanoyl-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate is 579442-66-3.
What is the molecular formula of methyl 4-(10-hexanoyl-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate?
The molecular formula of methyl 4-(10-hexanoyl-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate is C29H34N2O4.
What is the molecular weight of methyl 4-(10-hexanoyl-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate?
The molecular weight of methyl 4-(10-hexanoyl-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate is 474.25 g/mol.
Where can I buy methyl 4-(10-hexanoyl-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate?
You can request a quote for methyl 4-(10-hexanoyl-1-hydroxy-3,3-dimethyl-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-(10-hexanoyl-1-hydroxy-3,3-dimethyl-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-(10-hexanoyl-1-hydroxy-3,3-dimethyl-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.