RefChem:80014
TL;DR: RefChem:80014 (CAS 25878-32-4) is a chemical compound with molecular formula C20H25ClN3O9P and molecular weight 517.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R)-3-[4-[[(E)-2-chloroethenyl]-methylamino]phenoxy]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methyl dimethyl phosphate
Also Known As: 2',3'-(O)-(4-(N-2-Chloroethyl-N-methylamino)benzylidene)uridine-5'-methylphosphate, [(2R,3S,4R,5R)-3-[4-[[(E)-2-chloroethenyl]-methylamino]phenoxy]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methyl dimethyl phosphate, 2',3'-O-(4-(N-2-Chloroethyl-N-methylamino)-benzylidine)-uridine-5'-methylphosphate, Uridine, 2',3'-O-(p-((2-chloroethyl)methylamino)benzylidene)-, 5'-(methyl hydrogenphosphate), 5'-Uridylic acid, 2',3'-O-((4-((2-chloroethyl)methyl)amino)phenyl)methylene)-, monomethyl ester
| Molecular Formula | C20H25ClN3O9P |
|---|---|
| Molecular Weight | 517.10 g/mol |
| LogP | 1.8062 |
| Topological Polar Surface Area | 141.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 517.1017 |
| Heavy Atoms | 34 |
| Complexity | 1144.9685 |
Chemical Identifiers
| CAS Number | 25878-32-4 |
|---|---|
| SMILES | CN(/C=C/Cl)C1=CC=C(C=C1)O[C@@H]2[C@H](O[C@H]([C@@H]2O)N3C=CC(=O)NC3=O)COP(=O)(OC)OC |
Product Overview
RefChem:80014 (CAS 25878-32-4), with molecular formula C20H25ClN3O9P and molecular weight 517.10 g/mol. IUPAC: [(2R,3S,4R,5R)-3-[4-[[(E)-2-chloroethenyl]-methylamino]phenoxy]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methyl dimethyl phosphate.
Chemical Property Profile of RefChem:80014
Property Insights of RefChem:80014
The XLogP value of 1.8062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:80014. The TPSA of 141.55 Ų indicates high polarity, suggesting RefChem:80014 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:80014 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:80014?
The CAS number of RefChem:80014 is 25878-32-4.
What is the molecular formula of RefChem:80014?
The molecular formula of RefChem:80014 is C20H25ClN3O9P.
What is the molecular weight of RefChem:80014?
The molecular weight of RefChem:80014 is 517.10 g/mol.
Where can I buy RefChem:80014?
You can request a quote for RefChem:80014 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:80014?
Yes, KEHONG BIO provides custom synthesis services for RefChem:80014 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.