APEC
TL;DR: APEC (CAS 126828-50-0) is a chemical compound with molecular formula C25H35N9O5 and molecular weight 541.2761 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S,4R,5R)-5-[6-amino-2-[2-[4-[3-(2-aminoethylamino)-3-oxopropyl]phenyl]ethylamino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Also Known As: APEC, 2-APEC, 2-((2-Aminoethylamino)carbonylethylphenylethylamino)-5'-N-ethylcarboxamidoadenosine, (2S,3S,4R,5R)-5-[6-amino-2-[2-[4-[3-(2-aminoethylamino)-3-oxopropyl]phenyl]ethylamino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide, beta-D-Ribofuranuronamide, 1-(6-amino-2-((2-(4-(3-((2-aminoethyl)amino)-3-oxopropyl)phenyl)ethyl)amino)-9H-purin-9-yl)-1-deoxy-N-ethyl-
Technical Specifications
| Molecular Formula | C25H35N9O5 |
| Molecular Weight | 541.2761 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 216.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 541.2761 Da |
| Heavy Atoms | 39 |
| Complexity | 802.0 |
| SMILES | CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)NCCC4=CC=C(C=C4)CCC(=O)NCCN)N)O)O |
| InChIKey | UXUFTKZYJYGMGO-CMCWBKRRSA-N |
Chemical Property Profile of APEC
Property Insights of APEC
The XLogP value of -0.7 indicates that APEC is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 216.0 Ų indicates high polarity, suggesting APEC may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, APEC has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of APEC?
The CAS number of APEC is 126828-50-0.
What is the molecular formula of APEC?
The molecular formula of APEC is C25H35N9O5.
What is the molecular weight of APEC?
The molecular weight of APEC is 541.2761 g/mol.
Where can I buy APEC?
You can request a quote for APEC directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for APEC?
Yes, CoreyChem provides custom synthesis services for APEC and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.