2-phenethylamino-5'-N-ethylcarboxamidoadenosine
TL;DR: 2-phenethylamino-5'-N-ethylcarboxamidoadenosine (CAS 120225-53-8) is a chemical compound with molecular formula C20H25N7O4 and molecular weight 427.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4R,5R)-5-[6-amino-2-(2-phenylethylamino)purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Also Known As: Cgs 21577, 2-Phenethylamino-5'-N-ethylcarboxamidoadenosine, PDSP1_001207, PDSP2_001191, (2S,3S,4R,5R)-5-[6-amino-2-(2-phenylethylamino)purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
| Molecular Formula | C20H25N7O4 |
|---|---|
| Molecular Weight | 427.20 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.1968 |
| Heavy Atoms | 31 |
| Complexity | 608.0 |
Chemical Identifiers
| CAS Number | 120225-53-8 |
|---|---|
| SMILES | CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)NCCC4=CC=CC=C4)N)O)O |
| InChIKey | UQERKZWKUCVXID-QCUYGVNKSA-N |
Product Overview
2-phenethylamino-5'-N-ethylcarboxamidoadenosine (CAS 120225-53-8), with molecular formula C20H25N7O4 and molecular weight 427.20 g/mol. IUPAC: (2S,3S,4R,5R)-5-[6-amino-2-(2-phenylethylamino)purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide.
Chemical Property Profile of 2-phenethylamino-5'-N-ethylcarboxamidoadenosine
Property Insights of 2-phenethylamino-5'-N-ethylcarboxamidoadenosine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-phenethylamino-5'-N-ethylcarboxamidoadenosine. The TPSA of 160.0 Ų indicates high polarity, suggesting 2-phenethylamino-5'-N-ethylcarboxamidoadenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-phenethylamino-5'-N-ethylcarboxamidoadenosine has 5 hydrogen bond donor(s) and 9 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 2-phenethylamino-5'-N-ethylcarboxamidoadenosine?
The CAS number of 2-phenethylamino-5'-N-ethylcarboxamidoadenosine is 120225-53-8.
What is the molecular formula of 2-phenethylamino-5'-N-ethylcarboxamidoadenosine?
The molecular formula of 2-phenethylamino-5'-N-ethylcarboxamidoadenosine is C20H25N7O4.
What is the molecular weight of 2-phenethylamino-5'-N-ethylcarboxamidoadenosine?
The molecular weight of 2-phenethylamino-5'-N-ethylcarboxamidoadenosine is 427.20 g/mol.
Where can I buy 2-phenethylamino-5'-N-ethylcarboxamidoadenosine?
You can request a quote for 2-phenethylamino-5'-N-ethylcarboxamidoadenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-phenethylamino-5'-N-ethylcarboxamidoadenosine?
Yes, KEHONG BIO provides custom synthesis services for 2-phenethylamino-5'-N-ethylcarboxamidoadenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.