![methyl 4-[3-(4-tert-butylphenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate structure](/static/products/488/488088-48-8.png)
methyl 4-[3-(4-tert-butylphenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
TL;DR: methyl 4-[3-(4-tert-butylphenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate (CAS 488088-48-8) is a chemical compound with molecular formula C31H32N2O3 and molecular weight 480.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[9-(4-tert-butylphenyl)-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]benzoate
Also Known As: methyl 4-[3-(4-tert-butylphenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate, methyl 4-(3-(4-(tert-butyl)phenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate, methyl 4-[3-(4-tert-butylphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate, methyl 4-[9-(4-tert-butylphenyl)-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]benzoate
| Molecular Formula | C31H32N2O3 |
|---|---|
| Molecular Weight | 480.24 g/mol |
| LogP | 6.7502 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 480.2413 |
| Heavy Atoms | 36 |
| Complexity | 1331.4836 |
Chemical Identifiers
| CAS Number | 488088-48-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=C(C=C5)C(=O)OC)C(=O)C2 |
Product Overview
methyl 4-[3-(4-tert-butylphenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate (CAS 488088-48-8), with molecular formula C31H32N2O3 and molecular weight 480.24 g/mol. IUPAC: methyl 4-[9-(4-tert-butylphenyl)-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]benzoate.
Chemical Property Profile of methyl 4-[3-(4-tert-butylphenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Property Insights of methyl 4-[3-(4-tert-butylphenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
The XLogP value of 6.7502 indicates that methyl 4-[3-(4-tert-butylphenyl)-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 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[3-(4-tert-butylphenyl)-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-(4-tert-butylphenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate has 2 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-[3-(4-tert-butylphenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate?
The CAS number of methyl 4-[3-(4-tert-butylphenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate is 488088-48-8.
What is the molecular formula of methyl 4-[3-(4-tert-butylphenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate?
The molecular formula of methyl 4-[3-(4-tert-butylphenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate is C31H32N2O3.
What is the molecular weight of methyl 4-[3-(4-tert-butylphenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate?
The molecular weight of methyl 4-[3-(4-tert-butylphenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate is 480.24 g/mol.
Where can I buy methyl 4-[3-(4-tert-butylphenyl)-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-(4-tert-butylphenyl)-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-(4-tert-butylphenyl)-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-(4-tert-butylphenyl)-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.