PP55
TL;DR: PP55 (CAS 165307-53-9) is a chemical compound with molecular formula C29H42N4O11S and molecular weight 654.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(decanoylamino)-3-phenylpropyl] N-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxysulfonyl]carbamate
Also Known As: PP55, 5'-O-(( uridine, Uridine, 5'-(((2-((1-oxodecyl)amino)-3-phenylpropoxy)carbonyl)sulfamate), 5'-O-(((2-Decanoylamino-3-phenylpropyloxycarbonyl)amino)sulfonyl)uridine, [2-(decanoylamino)-3-phenylpropyl] N-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxysulfonyl]carbamate
| Molecular Formula | C29H42N4O11S |
|---|---|
| Molecular Weight | 654.26 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 218.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 19 |
| Exact Mass | 654.2571 |
| Heavy Atoms | 45 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 165307-53-9 |
|---|---|
| SMILES | CCCCCCCCCC(=O)NC(CC1=CC=CC=C1)COC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O |
| InChIKey | UADKHKLHAYUHAB-UHFDHVSFSA-N |
Product Overview
PP55 (CAS 165307-53-9), with molecular formula C29H42N4O11S and molecular weight 654.26 g/mol. IUPAC: [2-(decanoylamino)-3-phenylpropyl] N-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxysulfonyl]carbamate.
Chemical Property Profile of PP55
Property Insights of PP55
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PP55. The TPSA of 218.0 Ų indicates high polarity, suggesting PP55 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, PP55 has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of PP55?
The CAS number of PP55 is 165307-53-9.
What is the molecular formula of PP55?
The molecular formula of PP55 is C29H42N4O11S.
What is the molecular weight of PP55?
The molecular weight of PP55 is 654.26 g/mol.
Where can I buy PP55?
You can request a quote for PP55 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PP55?
Yes, KEHONG BIO provides custom synthesis services for PP55 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.