![methyl 4-{3-[4-(dimethylamino)phenyl]-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl}benzoate structure](/static/products/6697/669751-55-7.webp)
methyl 4-{3-[4-(dimethylamino)phenyl]-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-(dimethylamino)phenyl]-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl}benzoate (CAS 669751-55-7) is a chemical compound with molecular formula C29H29N3O3 and molecular weight 467.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[9-[4-(dimethylamino)phenyl]-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]benzoate
Also Known As: methyl 4-{3-[4-(dimethylamino)phenyl]-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl}benzoate, methyl 4-(3-(4-(dimethylamino)phenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate, methyl 4-[9-(4-dimethylaminophenyl)-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]benzoate, methyl 4-{3-[4-(dimethylamino)phenyl]-1-oxo-2,3,4-trihydro-5H,10H,11H-benzo[b] benzo[2,1-f]1,4-diazepin-11-yl}benzoate
| Molecular Formula | C29H29N3O3 |
|---|---|
| Molecular Weight | 467.22 g/mol |
| LogP | 5.5187 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 467.2209 |
| Heavy Atoms | 35 |
| Complexity | 1293.5071 |
Chemical Identifiers
| CAS Number | 669751-55-7 |
|---|---|
| SMILES | CN(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-(dimethylamino)phenyl]-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl}benzoate (CAS 669751-55-7), with molecular formula C29H29N3O3 and molecular weight 467.22 g/mol. IUPAC: methyl 4-[9-[4-(dimethylamino)phenyl]-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]benzoate.
Chemical Property Profile of methyl 4-{3-[4-(dimethylamino)phenyl]-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-(dimethylamino)phenyl]-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl}benzoate
The XLogP value of 5.5187 indicates that methyl 4-{3-[4-(dimethylamino)phenyl]-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 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-{3-[4-(dimethylamino)phenyl]-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-(dimethylamino)phenyl]-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl}benzoate has 2 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-(dimethylamino)phenyl]-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-(dimethylamino)phenyl]-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl}benzoate is 669751-55-7.
What is the molecular formula of methyl 4-{3-[4-(dimethylamino)phenyl]-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-(dimethylamino)phenyl]-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl}benzoate is C29H29N3O3.
What is the molecular weight of methyl 4-{3-[4-(dimethylamino)phenyl]-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-(dimethylamino)phenyl]-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl}benzoate is 467.22 g/mol.
Where can I buy methyl 4-{3-[4-(dimethylamino)phenyl]-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-(dimethylamino)phenyl]-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-(dimethylamino)phenyl]-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-(dimethylamino)phenyl]-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.