![3-[10-acetyl-3-(4-chlorophenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate structure](/static/products/6751/675142-52-6.webp)
3-[10-acetyl-3-(4-chlorophenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate
TL;DR: 3-[10-acetyl-3-(4-chlorophenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate (CAS 675142-52-6) is a chemical compound with molecular formula C29H25ClN2O4 and molecular weight 500.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[5-acetyl-9-(4-chlorophenyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]phenyl] acetate
Also Known As: 3-[10-acetyl-3-(4-chlorophenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate, [3-[5-acetyl-9-(4-chlorophenyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]phenyl] acetate, 3-(10-acetyl-3-(4-chlorophenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)phenyl acetate, 3-[10-acetyl-3-(4-chlorophenyl)-1-oxo-2,3,4-trihydro-5H,11H-benzo[b]benzo[2,1- f]1,4-diazepin-11-yl]phenyl acetate
| Molecular Formula | C29H25ClN2O4 |
|---|---|
| Molecular Weight | 500.15 g/mol |
| LogP | 6.1858 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 500.1503 |
| Heavy Atoms | 36 |
| Complexity | 1396.393 |
Chemical Identifiers
| CAS Number | 675142-52-6 |
|---|---|
| SMILES | CC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)Cl)NC4=CC=CC=C41)C5=CC(=CC=C5)OC(=O)C |
Product Overview
3-[10-acetyl-3-(4-chlorophenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate (CAS 675142-52-6), with molecular formula C29H25ClN2O4 and molecular weight 500.15 g/mol. IUPAC: [3-[5-acetyl-9-(4-chlorophenyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]phenyl] acetate.
Chemical Property Profile of 3-[10-acetyl-3-(4-chlorophenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate
Property Insights of 3-[10-acetyl-3-(4-chlorophenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate
The XLogP value of 6.1858 indicates that 3-[10-acetyl-3-(4-chlorophenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[10-acetyl-3-(4-chlorophenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate. Following Lipinski's Rule of Five, 3-[10-acetyl-3-(4-chlorophenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[10-acetyl-3-(4-chlorophenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate?
The CAS number of 3-[10-acetyl-3-(4-chlorophenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate is 675142-52-6.
What is the molecular formula of 3-[10-acetyl-3-(4-chlorophenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate?
The molecular formula of 3-[10-acetyl-3-(4-chlorophenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate is C29H25ClN2O4.
What is the molecular weight of 3-[10-acetyl-3-(4-chlorophenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate?
The molecular weight of 3-[10-acetyl-3-(4-chlorophenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate is 500.15 g/mol.
Where can I buy 3-[10-acetyl-3-(4-chlorophenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate?
You can request a quote for 3-[10-acetyl-3-(4-chlorophenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[10-acetyl-3-(4-chlorophenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-[10-acetyl-3-(4-chlorophenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.