![1-[3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone structure](/static/products/5164/516456-44-3.webp)
1-[3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone
TL;DR: 1-[3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone (CAS 516456-44-3) is a chemical compound with molecular formula C30H30N2O5 and molecular weight 498.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-9-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 1-[3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone, 10-acetyl-3-(3,4-dimethoxyphenyl)-11-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 1-(3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-methoxyphenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)ethanone, 10-acetyl-3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-methoxyphenyl)-2,3,4-trihydr o-11H-benzo[b]benzo[1,2-e]1,4-diazepine, 5-acetyl-9-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C30H30N2O5 |
|---|---|
| Molecular Weight | 498.22 g/mol |
| LogP | 5.6329 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.21548 |
| Heavy Atoms | 37 |
| Complexity | 1378.974 |
Chemical Identifiers
| CAS Number | 516456-44-3 |
|---|---|
| SMILES | CC(=O)N1C(C2=C(CC(CC2=O)C3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C41)C5=CC=C(C=C5)OC |
Product Overview
1-[3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone (CAS 516456-44-3), with molecular formula C30H30N2O5 and molecular weight 498.22 g/mol. IUPAC: 5-acetyl-9-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 1-[3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone
Property Insights of 1-[3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone
The XLogP value of 5.6329 indicates that 1-[3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone. Following Lipinski's Rule of Five, 1-[3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone 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 1-[3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone?
The CAS number of 1-[3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone is 516456-44-3.
What is the molecular formula of 1-[3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone?
The molecular formula of 1-[3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone is C30H30N2O5.
What is the molecular weight of 1-[3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone?
The molecular weight of 1-[3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone is 498.22 g/mol.
Where can I buy 1-[3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone?
You can request a quote for 1-[3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.