![5-[2-(4-chlorophenyl)acetyl]-6-(4-ethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one structure](/static/products/3526/352690-98-3.webp)
5-[2-(4-chlorophenyl)acetyl]-6-(4-ethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
TL;DR: 5-[2-(4-chlorophenyl)acetyl]-6-(4-ethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one (CAS 352690-98-3) is a chemical compound with molecular formula C31H31ClN2O3 and molecular weight 514.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-chlorophenyl)acetyl]-6-(4-ethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: 5-[2-(4-chlorophenyl)acetyl]-6-(4-ethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one, 10-[(4-chlorophenyl)acetyl]-11-(4-ethoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 10-(2-(4-chlorophenyl)acetyl)-11-(4-ethoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 10-[2-(4-CHLOROPHENYL)ACETYL]-11-(4-ETHOXYPHENYL)-3,3-DIMETHYL-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE
| Molecular Formula | C31H31ClN2O3 |
|---|---|
| Molecular Weight | 514.20 g/mol |
| LogP | 7.1244 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 514.20233 |
| Heavy Atoms | 37 |
| Complexity | 1359.9603 |
Chemical Identifiers
| CAS Number | 352690-98-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC4=CC=CC=C4N2C(=O)CC5=CC=C(C=C5)Cl |
Product Overview
5-[2-(4-chlorophenyl)acetyl]-6-(4-ethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one (CAS 352690-98-3), with molecular formula C31H31ClN2O3 and molecular weight 514.20 g/mol. IUPAC: 5-[2-(4-chlorophenyl)acetyl]-6-(4-ethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 5-[2-(4-chlorophenyl)acetyl]-6-(4-ethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Property Insights of 5-[2-(4-chlorophenyl)acetyl]-6-(4-ethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
The XLogP value of 7.1244 indicates that 5-[2-(4-chlorophenyl)acetyl]-6-(4-ethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-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, 5-[2-(4-chlorophenyl)acetyl]-6-(4-ethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[2-(4-chlorophenyl)acetyl]-6-(4-ethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-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 5-[2-(4-chlorophenyl)acetyl]-6-(4-ethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one?
The CAS number of 5-[2-(4-chlorophenyl)acetyl]-6-(4-ethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one is 352690-98-3.
What is the molecular formula of 5-[2-(4-chlorophenyl)acetyl]-6-(4-ethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one?
The molecular formula of 5-[2-(4-chlorophenyl)acetyl]-6-(4-ethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one is C31H31ClN2O3.
What is the molecular weight of 5-[2-(4-chlorophenyl)acetyl]-6-(4-ethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one?
The molecular weight of 5-[2-(4-chlorophenyl)acetyl]-6-(4-ethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one is 514.20 g/mol.
Where can I buy 5-[2-(4-chlorophenyl)acetyl]-6-(4-ethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one?
You can request a quote for 5-[2-(4-chlorophenyl)acetyl]-6-(4-ethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[2-(4-chlorophenyl)acetyl]-6-(4-ethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 5-[2-(4-chlorophenyl)acetyl]-6-(4-ethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.