4-Amino-1-(5-O-(1-oxohexadecyl)-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone
TL;DR: 4-Amino-1-(5-O-(1-oxohexadecyl)-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone (CAS 31088-06-9) is a chemical compound with molecular formula C25H43N3O6 and molecular weight 481.32 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 hexadecanoate
Also Known As: Palmitoyl cytarabine, Palmo-Ara-C, Palm O-ara-C, P-Ara-C, Arabinosyl cytosine palmitate
| Molecular Formula | C25H43N3O6 |
|---|---|
| Molecular Weight | 481.32 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 18 |
| Exact Mass | 481.3152 |
| Heavy Atoms | 34 |
| Complexity | 684.0 |
Chemical Identifiers
| CAS Number | 31088-06-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O |
| InChIKey | SHBAKEKBTCPUFI-OUJCMCIWSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-1-(5-O-(1-oxohexadecyl)-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone (CAS 31088-06-9), with molecular formula C25H43N3O6 and molecular weight 481.32 g/mol. IUPAC: [(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hexadecanoate.
Chemical Property Profile of 4-Amino-1-(5-O-(1-oxohexadecyl)-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone
Property Insights of 4-Amino-1-(5-O-(1-oxohexadecyl)-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone
The XLogP value of 5.6 indicates that 4-Amino-1-(5-O-(1-oxohexadecyl)-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-1-(5-O-(1-oxohexadecyl)-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone. Following Lipinski's Rule of Five, 4-Amino-1-(5-O-(1-oxohexadecyl)-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Amino-1-(5-O-(1-oxohexadecyl)-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone?
The CAS number of 4-Amino-1-(5-O-(1-oxohexadecyl)-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone is 31088-06-9.
What is the molecular formula of 4-Amino-1-(5-O-(1-oxohexadecyl)-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone?
The molecular formula of 4-Amino-1-(5-O-(1-oxohexadecyl)-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone is C25H43N3O6.
What is the molecular weight of 4-Amino-1-(5-O-(1-oxohexadecyl)-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone?
The molecular weight of 4-Amino-1-(5-O-(1-oxohexadecyl)-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone is 481.32 g/mol.
Where can I buy 4-Amino-1-(5-O-(1-oxohexadecyl)-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone?
You can request a quote for 4-Amino-1-(5-O-(1-oxohexadecyl)-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-1-(5-O-(1-oxohexadecyl)-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-1-(5-O-(1-oxohexadecyl)-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.