阿卡地新
TL;DR: 阿卡地新 (CAS 2627-69-2) is a chemical compound with molecular formula C9H14N4O5 and molecular weight 258.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿卡地新
5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
Also Known As: ACADESINE, AICAR, AICA-riboside, Arasine, Acadesina
| Molecular Formula | C9H14N4O5 |
|---|---|
| Molecular Weight | 258.10 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.0964 |
| Heavy Atoms | 18 |
| Complexity | 330.0 |
| Melting Point | 213 |
Chemical Identifiers
| CAS Number | 2627-69-2 |
|---|---|
| SMILES | C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N |
| InChIKey | RTRQQBHATOEIAF-UUOKFMHZSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿卡地新 (CAS 2627-69-2), with molecular formula C9H14N4O5 and molecular weight 258.10 g/mol. IUPAC: 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide.
Chemical Property Profile of 阿卡地新
Property Insights of 阿卡地新
The XLogP value of -2.2 indicates that 阿卡地新 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 157.0 Ų indicates high polarity, suggesting 阿卡地新 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 阿卡地新 has 5 hydrogen bond donor(s) and 7 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 阿卡地新?
The CAS number of 阿卡地新 is 2627-69-2.
What is the molecular formula of 阿卡地新?
The molecular formula of 阿卡地新 is C9H14N4O5.
What is the molecular weight of 阿卡地新?
The molecular weight of 阿卡地新 is 258.10 g/mol.
Where can I buy 阿卡地新?
You can request a quote for 阿卡地新 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿卡地新?
Yes, KEHONG BIO provides custom synthesis services for 阿卡地新 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.