AJ-292/41694850
TL;DR: AJ-292/41694850 (CAS 312626-29-2) is a chemical compound with molecular formula C27H26N2O2S and molecular weight 442.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-methylpropanoyl)-9-phenyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: AJ-292/41694850, 10-ISOBUTYRYL-3-PHENYL-11-(2-THIENYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE, 5-(2-methylpropanoyl)-9-phenyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one, 10-(2-methylpropanoyl)-3-phenyl-11-(2-thienyl)-2,3,4-trihydro-5H,11H-benzo[b]b enzo[2,1-f]1,4-diazepin-1-one, 10-(2-methylpropanoyl)-3-phenyl-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C27H26N2O2S |
|---|---|
| Molecular Weight | 442.17 g/mol |
| LogP | 6.3047 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.1715 |
| Heavy Atoms | 32 |
| Complexity | 1181.385 |
Chemical Identifiers
| CAS Number | 312626-29-2 |
|---|---|
| SMILES | CC(C)C(=O)N1C(C2=C(CC(CC2=O)C3=CC=CC=C3)NC4=CC=CC=C41)C5=CC=CS5 |
Product Overview
AJ-292/41694850 (CAS 312626-29-2), with molecular formula C27H26N2O2S and molecular weight 442.17 g/mol. IUPAC: 5-(2-methylpropanoyl)-9-phenyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of AJ-292/41694850
Property Insights of AJ-292/41694850
The XLogP value of 6.3047 indicates that AJ-292/41694850 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, AJ-292/41694850 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AJ-292/41694850 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-292/41694850?
The CAS number of AJ-292/41694850 is 312626-29-2.
What is the molecular formula of AJ-292/41694850?
The molecular formula of AJ-292/41694850 is C27H26N2O2S.
What is the molecular weight of AJ-292/41694850?
The molecular weight of AJ-292/41694850 is 442.17 g/mol.
Where can I buy AJ-292/41694850?
You can request a quote for AJ-292/41694850 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/41694850?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/41694850 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.