![1-{11-[4-(benzyloxy)phenyl]-1-hydroxy-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one structure](/static/products/488/488716-25-2.png)
1-{11-[4-(benzyloxy)phenyl]-1-hydroxy-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one
TL;DR: 1-{11-[4-(benzyloxy)phenyl]-1-hydroxy-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one (CAS 488716-25-2) is a chemical compound with molecular formula C36H34N2O3 and molecular weight 542.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-methylphenyl)-6-(4-phenylmethoxyphenyl)-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 1-{11-[4-(benzyloxy)phenyl]-1-hydroxy-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one, 11-(4-(benzyloxy)phenyl)-10-propionyl-3-(p-tolyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 11-[4-(benzyloxy)phenyl]-3-(4-methylphenyl)-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 9-(4-methylphenyl)-6-(4-phenylmethoxyphenyl)-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C36H34N2O3 |
|---|---|
| Molecular Weight | 542.26 g/mol |
| LogP | 7.88462 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 542.25696 |
| Heavy Atoms | 41 |
| Complexity | 1590.4125 |
Chemical Identifiers
| CAS Number | 488716-25-2 |
|---|---|
| SMILES | CCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)C)NC4=CC=CC=C41)C5=CC=C(C=C5)OCC6=CC=CC=C6 |
Product Overview
1-{11-[4-(benzyloxy)phenyl]-1-hydroxy-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one (CAS 488716-25-2), with molecular formula C36H34N2O3 and molecular weight 542.26 g/mol. IUPAC: 9-(4-methylphenyl)-6-(4-phenylmethoxyphenyl)-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 1-{11-[4-(benzyloxy)phenyl]-1-hydroxy-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one
Property Insights of 1-{11-[4-(benzyloxy)phenyl]-1-hydroxy-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one
The XLogP value of 7.88462 indicates that 1-{11-[4-(benzyloxy)phenyl]-1-hydroxy-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-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, 1-{11-[4-(benzyloxy)phenyl]-1-hydroxy-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{11-[4-(benzyloxy)phenyl]-1-hydroxy-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-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 1-{11-[4-(benzyloxy)phenyl]-1-hydroxy-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one?
The CAS number of 1-{11-[4-(benzyloxy)phenyl]-1-hydroxy-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one is 488716-25-2.
What is the molecular formula of 1-{11-[4-(benzyloxy)phenyl]-1-hydroxy-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one?
The molecular formula of 1-{11-[4-(benzyloxy)phenyl]-1-hydroxy-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one is C36H34N2O3.
What is the molecular weight of 1-{11-[4-(benzyloxy)phenyl]-1-hydroxy-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one?
The molecular weight of 1-{11-[4-(benzyloxy)phenyl]-1-hydroxy-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one is 542.26 g/mol.
Where can I buy 1-{11-[4-(benzyloxy)phenyl]-1-hydroxy-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one?
You can request a quote for 1-{11-[4-(benzyloxy)phenyl]-1-hydroxy-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{11-[4-(benzyloxy)phenyl]-1-hydroxy-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-{11-[4-(benzyloxy)phenyl]-1-hydroxy-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.