![{11-[3-(benzyloxy)phenyl]-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}(phenyl)methanone structure](/static/products/406/406914-92-9.png)
{11-[3-(benzyloxy)phenyl]-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}(phenyl)methanone
TL;DR: {11-[3-(benzyloxy)phenyl]-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}(phenyl)methanone (CAS 406914-92-9) is a chemical compound with molecular formula C35H32N2O3 and molecular weight 528.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzoyl-9,9-dimethyl-6-(3-phenylmethoxyphenyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: {11-[3-(benzyloxy)phenyl]-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}(phenyl)methanone, 10-benzoyl-11-(3-(benzyloxy)phenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 10-BENZOYL-11-[3-(BENZYLOXY)PHENYL]-3,3-DIMETHYL-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE, 11-[3-(benzyloxy)phenyl]-3,3-dimethyl-10-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 5-benzoyl-9,9-dimethyl-6-(3-phenylmethoxyphenyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C35H32N2O3 |
|---|---|
| Molecular Weight | 528.24 g/mol |
| LogP | 7.7224 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 528.2413 |
| Heavy Atoms | 40 |
| Complexity | 1591.4923 |
Chemical Identifiers
| CAS Number | 406914-92-9 |
|---|---|
| SMILES | CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C4=CC=CC=C4)C5=CC(=CC=C5)OCC6=CC=CC=C6)C(=O)C1)C |
Product Overview
{11-[3-(benzyloxy)phenyl]-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}(phenyl)methanone (CAS 406914-92-9), with molecular formula C35H32N2O3 and molecular weight 528.24 g/mol. IUPAC: 5-benzoyl-9,9-dimethyl-6-(3-phenylmethoxyphenyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of {11-[3-(benzyloxy)phenyl]-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}(phenyl)methanone
Property Insights of {11-[3-(benzyloxy)phenyl]-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}(phenyl)methanone
The XLogP value of 7.7224 indicates that {11-[3-(benzyloxy)phenyl]-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}(phenyl)methanone 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-[3-(benzyloxy)phenyl]-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}(phenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, {11-[3-(benzyloxy)phenyl]-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}(phenyl)methanone 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-[3-(benzyloxy)phenyl]-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}(phenyl)methanone?
The CAS number of {11-[3-(benzyloxy)phenyl]-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}(phenyl)methanone is 406914-92-9.
What is the molecular formula of {11-[3-(benzyloxy)phenyl]-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}(phenyl)methanone?
The molecular formula of {11-[3-(benzyloxy)phenyl]-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}(phenyl)methanone is C35H32N2O3.
What is the molecular weight of {11-[3-(benzyloxy)phenyl]-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}(phenyl)methanone?
The molecular weight of {11-[3-(benzyloxy)phenyl]-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}(phenyl)methanone is 528.24 g/mol.
Where can I buy {11-[3-(benzyloxy)phenyl]-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}(phenyl)methanone?
You can request a quote for {11-[3-(benzyloxy)phenyl]-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}(phenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {11-[3-(benzyloxy)phenyl]-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}(phenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for {11-[3-(benzyloxy)phenyl]-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}(phenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.