Ara-C 5'octanoate
TL;DR: Ara-C 5'octanoate (CAS 31088-08-1) is a chemical compound with molecular formula C17H27N3O6 and molecular weight 369.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl octanoate
Also Known As: Ara-c 5'octanoate, Cytarabine 5'-octanoate, Ara-C 5'-octanoate, 4-Amino-1-(5-O-(1-oxooctyl)-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone, 4-Amino-1-(5-O-octanoyl-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one
| Molecular Formula | C17H27N3O6 |
|---|---|
| Molecular Weight | 369.19 g/mol |
| LogP | 0.3484 |
| Topological Polar Surface Area | 136.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 369.18997 |
| Heavy Atoms | 26 |
| Complexity | 649.63055 |
Chemical Identifiers
| CAS Number | 31088-08-1 |
|---|---|
| SMILES | CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O |
Product Overview
Ara-C 5'octanoate (CAS 31088-08-1), with molecular formula C17H27N3O6 and molecular weight 369.19 g/mol. IUPAC: [(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl octanoate.
Chemical Property Profile of Ara-C 5'octanoate
Property Insights of Ara-C 5'octanoate
The XLogP value of 0.3484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ara-C 5'octanoate. The TPSA of 136.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ara-C 5'octanoate. Following Lipinski's Rule of Five, Ara-C 5'octanoate has 3 hydrogen bond donor(s) and 8 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 Ara-C 5'octanoate?
The CAS number of Ara-C 5'octanoate is 31088-08-1.
What is the molecular formula of Ara-C 5'octanoate?
The molecular formula of Ara-C 5'octanoate is C17H27N3O6.
What is the molecular weight of Ara-C 5'octanoate?
The molecular weight of Ara-C 5'octanoate is 369.19 g/mol.
Where can I buy Ara-C 5'octanoate?
You can request a quote for Ara-C 5'octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ara-C 5'octanoate?
Yes, KEHONG BIO provides custom synthesis services for Ara-C 5'octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.