7-(4-Chlorophenyl)-8-phenoxy-4,5-benzo-3-aza-2-nonem
TL;DR: 7-(4-Chlorophenyl)-8-phenoxy-4,5-benzo-3-aza-2-nonem (CAS 85741-29-3) is a chemical compound with molecular formula C24H19ClN2O2S and molecular weight 434.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-7-methylsulfanyl-4-phenoxy-2,8-diazatricyclo[7.4.0.02,5]trideca-1(13),7,9,11-tetraen-3-one
Also Known As: 1,5-Bdz, 7-(4-Chlorophenyl)-8-phenoxy-4,5-benzo-3-aza-2-nonem, 5-(4-Chlorophenyl)-7-methylsulfanyl-4-phenoxy-2,8-diazatricyclo[7.4.0.02,5]trideca-1(13),7,9,11-tetraen-3-one, 2a-(4-Chlorophenyl)-4-(methylsulfanyl)-2-phenoxy-2a,3-dihydroazeto[1,2-a][1,5]benzodiazepin-1(2H)-one, Azeto(1,2-a)(1,5)benzodiazepin-1(2H)-one, 2a-(4-chlorophenyl)-2a,3-dihydro-4-(methylthio)-2-phenoxy-
| Molecular Formula | C24H19ClN2O2S |
|---|---|
| Molecular Weight | 434.09 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.08557 |
| Heavy Atoms | 30 |
| Complexity | 674.0 |
Chemical Identifiers
| CAS Number | 85741-29-3 |
|---|---|
| SMILES | CSC1=NC2=CC=CC=C2N3C(=O)C(C3(C1)C4=CC=C(C=C4)Cl)OC5=CC=CC=C5 |
| InChIKey | LDPAMEMWSTVDKO-UHFFFAOYSA-N |
Product Overview
7-(4-Chlorophenyl)-8-phenoxy-4,5-benzo-3-aza-2-nonem (CAS 85741-29-3), with molecular formula C24H19ClN2O2S and molecular weight 434.09 g/mol. IUPAC: 5-(4-chlorophenyl)-7-methylsulfanyl-4-phenoxy-2,8-diazatricyclo[7.4.0.02,5]trideca-1(13),7,9,11-tetraen-3-one.
Chemical Property Profile of 7-(4-Chlorophenyl)-8-phenoxy-4,5-benzo-3-aza-2-nonem
Property Insights of 7-(4-Chlorophenyl)-8-phenoxy-4,5-benzo-3-aza-2-nonem
The XLogP value of 4.8 indicates that 7-(4-Chlorophenyl)-8-phenoxy-4,5-benzo-3-aza-2-nonem is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4-Chlorophenyl)-8-phenoxy-4,5-benzo-3-aza-2-nonem. Following Lipinski's Rule of Five, 7-(4-Chlorophenyl)-8-phenoxy-4,5-benzo-3-aza-2-nonem has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-(4-Chlorophenyl)-8-phenoxy-4,5-benzo-3-aza-2-nonem?
The CAS number of 7-(4-Chlorophenyl)-8-phenoxy-4,5-benzo-3-aza-2-nonem is 85741-29-3.
What is the molecular formula of 7-(4-Chlorophenyl)-8-phenoxy-4,5-benzo-3-aza-2-nonem?
The molecular formula of 7-(4-Chlorophenyl)-8-phenoxy-4,5-benzo-3-aza-2-nonem is C24H19ClN2O2S.
What is the molecular weight of 7-(4-Chlorophenyl)-8-phenoxy-4,5-benzo-3-aza-2-nonem?
The molecular weight of 7-(4-Chlorophenyl)-8-phenoxy-4,5-benzo-3-aza-2-nonem is 434.09 g/mol.
Where can I buy 7-(4-Chlorophenyl)-8-phenoxy-4,5-benzo-3-aza-2-nonem?
You can request a quote for 7-(4-Chlorophenyl)-8-phenoxy-4,5-benzo-3-aza-2-nonem directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(4-Chlorophenyl)-8-phenoxy-4,5-benzo-3-aza-2-nonem?
Yes, KEHONG BIO provides custom synthesis services for 7-(4-Chlorophenyl)-8-phenoxy-4,5-benzo-3-aza-2-nonem and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.