AJ-292/13093062
TL;DR: AJ-292/13093062 (CAS 314039-95-7) is a chemical compound with molecular formula C25H22N2O2S2 and molecular weight 446.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone
Also Known As: AJ-292/13093062, 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone, 1-(10H,11H-dibenzo[b,f]azepin-5-yl)-2-(6-ethoxybenzothiazol-2-ylthio)ethan-1-o ne, 5-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl}-10,11-dihydro-5H-dibenzo[b,f]azepine, 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-((6-ethoxybenzo[d]thiazol-2-yl)thio)ethanone
| Molecular Formula | C25H22N2O2S2 |
|---|---|
| Molecular Weight | 446.11 g/mol |
| LogP | 6.2506 |
| Topological Polar Surface Area | 42.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.11227 |
| Heavy Atoms | 31 |
| Complexity | 1203.7495 |
Chemical Identifiers
| CAS Number | 314039-95-7 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)N3C4=CC=CC=C4CCC5=CC=CC=C53 |
Product Overview
AJ-292/13093062 (CAS 314039-95-7), with molecular formula C25H22N2O2S2 and molecular weight 446.11 g/mol. IUPAC: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone.
Chemical Property Profile of AJ-292/13093062
Property Insights of AJ-292/13093062
The XLogP value of 6.2506 indicates that AJ-292/13093062 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.43 Ų, AJ-292/13093062 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AJ-292/13093062 has 0 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 AJ-292/13093062?
The CAS number of AJ-292/13093062 is 314039-95-7.
What is the molecular formula of AJ-292/13093062?
The molecular formula of AJ-292/13093062 is C25H22N2O2S2.
What is the molecular weight of AJ-292/13093062?
The molecular weight of AJ-292/13093062 is 446.11 g/mol.
Where can I buy AJ-292/13093062?
You can request a quote for AJ-292/13093062 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/13093062?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/13093062 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.