![methyl 4-(1-oxo-10-(thiophene-2-carbonyl)-3-(p-tolyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate structure](/static/products/442/442570-11-8.png)
methyl 4-(1-oxo-10-(thiophene-2-carbonyl)-3-(p-tolyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate
TL;DR: methyl 4-(1-oxo-10-(thiophene-2-carbonyl)-3-(p-tolyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate (CAS 442570-11-8) is a chemical compound with molecular formula C33H28N2O4S and molecular weight 548.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[9-(4-methylphenyl)-7-oxo-5-(thiophene-2-carbonyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]benzoate
Also Known As: methyl 4-(1-oxo-10-(thiophene-2-carbonyl)-3-(p-tolyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate, METHYL 4-[1-HYDROXY-3-(4-METHYLPHENYL)-10-(2-THIENYLCARBONYL)-3,4,10,11-TETRAHYDRO-2H-DIBENZO[B,E][1,4]DIAZEPIN-11-YL]BENZOATE, methyl 4-[1-hydroxy-3-(4-methylphenyl)-10-(thiophen-2-ylcarbonyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate, METHYL 4-[3-(4-METHYLPHENYL)-1-OXO-10-(2-THIENYLCARBONYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-11-YL]BENZOATE, methyl 4-[9-(4-methylphenyl)-7-oxo-5-(thiophene-2-carbonyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]benzoate
| Molecular Formula | C33H28N2O4S |
|---|---|
| Molecular Weight | 548.18 g/mol |
| LogP | 7.05752 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 548.177 |
| Heavy Atoms | 40 |
| Complexity | 1621.9381 |
Chemical Identifiers
| CAS Number | 442570-11-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C5=CC=CS5)C6=CC=C(C=C6)C(=O)OC)C(=O)C2 |
Product Overview
methyl 4-(1-oxo-10-(thiophene-2-carbonyl)-3-(p-tolyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate (CAS 442570-11-8), with molecular formula C33H28N2O4S and molecular weight 548.18 g/mol. IUPAC: methyl 4-[9-(4-methylphenyl)-7-oxo-5-(thiophene-2-carbonyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]benzoate.
Chemical Property Profile of methyl 4-(1-oxo-10-(thiophene-2-carbonyl)-3-(p-tolyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate
Property Insights of methyl 4-(1-oxo-10-(thiophene-2-carbonyl)-3-(p-tolyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate
The XLogP value of 7.05752 indicates that methyl 4-(1-oxo-10-(thiophene-2-carbonyl)-3-(p-tolyl)-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 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(1-oxo-10-(thiophene-2-carbonyl)-3-(p-tolyl)-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-(1-oxo-10-(thiophene-2-carbonyl)-3-(p-tolyl)-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-(1-oxo-10-(thiophene-2-carbonyl)-3-(p-tolyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate?
The CAS number of methyl 4-(1-oxo-10-(thiophene-2-carbonyl)-3-(p-tolyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate is 442570-11-8.
What is the molecular formula of methyl 4-(1-oxo-10-(thiophene-2-carbonyl)-3-(p-tolyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate?
The molecular formula of methyl 4-(1-oxo-10-(thiophene-2-carbonyl)-3-(p-tolyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate is C33H28N2O4S.
What is the molecular weight of methyl 4-(1-oxo-10-(thiophene-2-carbonyl)-3-(p-tolyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate?
The molecular weight of methyl 4-(1-oxo-10-(thiophene-2-carbonyl)-3-(p-tolyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate is 548.18 g/mol.
Where can I buy methyl 4-(1-oxo-10-(thiophene-2-carbonyl)-3-(p-tolyl)-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-(1-oxo-10-(thiophene-2-carbonyl)-3-(p-tolyl)-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-(1-oxo-10-(thiophene-2-carbonyl)-3-(p-tolyl)-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-(1-oxo-10-(thiophene-2-carbonyl)-3-(p-tolyl)-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.