AJ-292/41694817
TL;DR: AJ-292/41694817 (CAS 523993-00-2) is a chemical compound with molecular formula C28H22FN3O2 and molecular weight 451.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-acetyl-9-(4-fluorophenyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]benzonitrile
Also Known As: AJ-292/41694817, 4-[10-acetyl-3-(4-fluorophenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzonitrile, A3381/0143464, 4-[5-acetyl-9-(4-fluorophenyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]benzonitrile, 4-(10-acetyl-3-(4-fluorophenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzonitrile
| Molecular Formula | C28H22FN3O2 |
|---|---|
| Molecular Weight | 451.17 g/mol |
| LogP | 5.61788 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 451.16962 |
| Heavy Atoms | 34 |
| Complexity | 1353.6487 |
Chemical Identifiers
| CAS Number | 523993-00-2 |
|---|---|
| SMILES | CC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)F)NC4=CC=CC=C41)C5=CC=C(C=C5)C#N |
Product Overview
AJ-292/41694817 (CAS 523993-00-2), with molecular formula C28H22FN3O2 and molecular weight 451.17 g/mol. IUPAC: 4-[5-acetyl-9-(4-fluorophenyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]benzonitrile.
Chemical Property Profile of AJ-292/41694817
Property Insights of AJ-292/41694817
The XLogP value of 5.61788 indicates that AJ-292/41694817 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/41694817. Following Lipinski's Rule of Five, AJ-292/41694817 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 AJ-292/41694817?
The CAS number of AJ-292/41694817 is 523993-00-2.
What is the molecular formula of AJ-292/41694817?
The molecular formula of AJ-292/41694817 is C28H22FN3O2.
What is the molecular weight of AJ-292/41694817?
The molecular weight of AJ-292/41694817 is 451.17 g/mol.
Where can I buy AJ-292/41694817?
You can request a quote for AJ-292/41694817 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/41694817?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/41694817 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.