C-C3PCA
TL;DR: C-C3PCA (CAS 89142-98-3) is a chemical compound with molecular formula C13H20N3O10P and molecular weight 409.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(2R,3S,4S)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxybutanoic acid
Also Known As: C-C3PCA, Ara-C 5'-carboxypropylphosphate, Cytarabine 5'-carboxypropylphosphate, 1-{5-O-[(3-Carboxypropoxy)(hydroxy)phosphoryl]pentofuranosyl}-4-imino-1,4-dihydropyrimidin-2-ol, 4-[[(2R,3S,4S)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxybutanoic acid
| Molecular Formula | C13H20N3O10P |
|---|---|
| Molecular Weight | 409.09 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 201.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 409.08862 |
| Heavy Atoms | 27 |
| Complexity | 683.0 |
Chemical Identifiers
| CAS Number | 89142-98-3 |
|---|---|
| SMILES | C1=CN(C(=O)N=C1N)C2[C@H]([C@@H]([C@H](O2)COP(=O)(O)OCCCC(=O)O)O)O |
| InChIKey | VDDNHRUWCIDRKL-FBWFMTOQSA-N |
Product Overview
C-C3PCA (CAS 89142-98-3), with molecular formula C13H20N3O10P and molecular weight 409.09 g/mol. IUPAC: 4-[[(2R,3S,4S)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxybutanoic acid.
Chemical Property Profile of C-C3PCA
Property Insights of C-C3PCA
The XLogP value of -3.0 indicates that C-C3PCA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 201.0 Ų indicates high polarity, suggesting C-C3PCA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C-C3PCA has 5 hydrogen bond donor(s) and 10 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 C-C3PCA?
The CAS number of C-C3PCA is 89142-98-3.
What is the molecular formula of C-C3PCA?
The molecular formula of C-C3PCA is C13H20N3O10P.
What is the molecular weight of C-C3PCA?
The molecular weight of C-C3PCA is 409.09 g/mol.
Where can I buy C-C3PCA?
You can request a quote for C-C3PCA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C-C3PCA?
Yes, KEHONG BIO provides custom synthesis services for C-C3PCA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.