AE-641/11289466
TL;DR: AE-641/11289466 (CAS 468744-31-2) is a chemical compound with molecular formula C16H14N2O2S and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-thiophen-2-ylmethylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
Also Known As: AE-641/11289466, AH-487/11271010, 2-{[(E)-thiophen-2-ylmethylidene]amino}-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione, (E)-2-((thiophen-2-ylmethylene)amino)-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione, 4-[(2-thienylmethylene)amino]-spiro(4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-10,1'-cyclopropane)-3,5-dione
| Molecular Formula | C16H14N2O2S |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 2.2792 |
| Topological Polar Surface Area | 49.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.0776 |
| Heavy Atoms | 21 |
| Complexity | 667.869 |
Chemical Identifiers
| CAS Number | 468744-31-2 |
|---|---|
| SMILES | C1CC12C3C=CC2C4C3C(=O)N(C4=O)/N=C/C5=CC=CS5 |
Product Overview
AE-641/11289466 (CAS 468744-31-2), with molecular formula C16H14N2O2S and molecular weight 298.08 g/mol. IUPAC: 4-[(E)-thiophen-2-ylmethylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione.
Chemical Property Profile of AE-641/11289466
Property Insights of AE-641/11289466
The XLogP value of 2.2792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-641/11289466. With a topological polar surface area (TPSA) of 49.74 Ų, AE-641/11289466 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-641/11289466 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 AE-641/11289466?
The CAS number of AE-641/11289466 is 468744-31-2.
What is the molecular formula of AE-641/11289466?
The molecular formula of AE-641/11289466 is C16H14N2O2S.
What is the molecular weight of AE-641/11289466?
The molecular weight of AE-641/11289466 is 298.08 g/mol.
Where can I buy AE-641/11289466?
You can request a quote for AE-641/11289466 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/11289466?
Yes, KEHONG BIO provides custom synthesis services for AE-641/11289466 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.