![11-[4-(benzyloxy)phenyl]-10-isobutyryl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one structure](/static/products/355/355003-50-8.png)
11-[4-(benzyloxy)phenyl]-10-isobutyryl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
TL;DR: 11-[4-(benzyloxy)phenyl]-10-isobutyryl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 355003-50-8) is a chemical compound with molecular formula C32H34N2O3 and molecular weight 494.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,9-dimethyl-5-(2-methylpropanoyl)-6-(4-phenylmethoxyphenyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: 11-[4-(benzyloxy)phenyl]-10-isobutyryl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-(4-benzyloxyphenyl)-9,9-dimethyl-5-(2-methylpropanoyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one, 9,9-dimethyl-5-(2-methylpropanoyl)-6-(4-phenylmethoxyphenyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one, 11-(4-(benzyloxy)phenyl)-10-isobutyryl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 11-[4-(benzyloxy)phenyl]-3,3-dimethyl-10-(2-methylpropanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C32H34N2O3 |
|---|---|
| Molecular Weight | 494.26 g/mol |
| LogP | 7.0646 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 494.25696 |
| Heavy Atoms | 37 |
| Complexity | 1339.9609 |
Chemical Identifiers
| CAS Number | 355003-50-8 |
|---|---|
| SMILES | CC(C)C(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(C=C4)OCC5=CC=CC=C5 |
Product Overview
11-[4-(benzyloxy)phenyl]-10-isobutyryl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 355003-50-8), with molecular formula C32H34N2O3 and molecular weight 494.26 g/mol. IUPAC: 9,9-dimethyl-5-(2-methylpropanoyl)-6-(4-phenylmethoxyphenyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 11-[4-(benzyloxy)phenyl]-10-isobutyryl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Property Insights of 11-[4-(benzyloxy)phenyl]-10-isobutyryl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
The XLogP value of 7.0646 indicates that 11-[4-(benzyloxy)phenyl]-10-isobutyryl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, 11-[4-(benzyloxy)phenyl]-10-isobutyryl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11-[4-(benzyloxy)phenyl]-10-isobutyryl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11-[4-(benzyloxy)phenyl]-10-isobutyryl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The CAS number of 11-[4-(benzyloxy)phenyl]-10-isobutyryl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 355003-50-8.
What is the molecular formula of 11-[4-(benzyloxy)phenyl]-10-isobutyryl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular formula of 11-[4-(benzyloxy)phenyl]-10-isobutyryl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is C32H34N2O3.
What is the molecular weight of 11-[4-(benzyloxy)phenyl]-10-isobutyryl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular weight of 11-[4-(benzyloxy)phenyl]-10-isobutyryl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 494.26 g/mol.
Where can I buy 11-[4-(benzyloxy)phenyl]-10-isobutyryl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
You can request a quote for 11-[4-(benzyloxy)phenyl]-10-isobutyryl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-[4-(benzyloxy)phenyl]-10-isobutyryl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 11-[4-(benzyloxy)phenyl]-10-isobutyryl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.