2',3'-O-((4-((2-Chloroethyl)methylamino)phenyl)methylene)-5'-uridylic acid
TL;DR: 2',3'-O-((4-((2-Chloroethyl)methylamino)phenyl)methylene)-5'-uridylic acid (CAS 47730-88-1) is a chemical compound with molecular formula C19H23ClN3O9P and molecular weight 503.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,4R,6R,6aR)-2-[4-[2-chloroethyl(methyl)amino]phenyl]-4-(2,4-dioxopyrimidin-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate
Also Known As: 2',3'-O-((4-((2-Chloroethyl)methylamino)phenyl)methylene)-5'-uridylic acid, 5'-Uridylic acid, 2',3'-O-((4-((2-chloroethyl)methylamino)phenyl)methylene)-, 5'-Uridylic acid, 2',3'-O-[[4-[(2-chloroethyl)methylamino]phenyl]methylene]-, [(3aR,4R,6R,6aR)-2-[4-[2-chloroethyl(methyl)amino]phenyl]-4-(2,4-dioxopyrimidin-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate, 1-[2,3-O-({4-[(2-Chloroethyl)(methyl)amino]phenyl}methylidene)-5-O-phosphono-beta-D-ribofuranosyl]-4-hydroxypyrimidin-2(1H)-one
| Molecular Formula | C19H23ClN3O9P |
|---|---|
| Molecular Weight | 503.09 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 503.08603 |
| Heavy Atoms | 33 |
| Complexity | 818.0 |
Chemical Identifiers
| CAS Number | 47730-88-1 |
|---|---|
| SMILES | CN(CCCl)C1=CC=C(C=C1)C2O[C@@H]3[C@H](O[C@H]([C@@H]3O2)N4C=CC(=O)NC4=O)COP(=O)(O)O |
| InChIKey | YEAQKOCBPLLVPC-XWEABGILSA-N |
Product Overview
2',3'-O-((4-((2-Chloroethyl)methylamino)phenyl)methylene)-5'-uridylic acid (CAS 47730-88-1), with molecular formula C19H23ClN3O9P and molecular weight 503.09 g/mol. IUPAC: [(3aR,4R,6R,6aR)-2-[4-[2-chloroethyl(methyl)amino]phenyl]-4-(2,4-dioxopyrimidin-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate.
Chemical Property Profile of 2',3'-O-((4-((2-Chloroethyl)methylamino)phenyl)methylene)-5'-uridylic acid
Property Insights of 2',3'-O-((4-((2-Chloroethyl)methylamino)phenyl)methylene)-5'-uridylic acid
The XLogP value of -0.8 indicates that 2',3'-O-((4-((2-Chloroethyl)methylamino)phenyl)methylene)-5'-uridylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.0 Ų indicates high polarity, suggesting 2',3'-O-((4-((2-Chloroethyl)methylamino)phenyl)methylene)-5'-uridylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2',3'-O-((4-((2-Chloroethyl)methylamino)phenyl)methylene)-5'-uridylic acid has 3 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 2',3'-O-((4-((2-Chloroethyl)methylamino)phenyl)methylene)-5'-uridylic acid?
The CAS number of 2',3'-O-((4-((2-Chloroethyl)methylamino)phenyl)methylene)-5'-uridylic acid is 47730-88-1.
What is the molecular formula of 2',3'-O-((4-((2-Chloroethyl)methylamino)phenyl)methylene)-5'-uridylic acid?
The molecular formula of 2',3'-O-((4-((2-Chloroethyl)methylamino)phenyl)methylene)-5'-uridylic acid is C19H23ClN3O9P.
What is the molecular weight of 2',3'-O-((4-((2-Chloroethyl)methylamino)phenyl)methylene)-5'-uridylic acid?
The molecular weight of 2',3'-O-((4-((2-Chloroethyl)methylamino)phenyl)methylene)-5'-uridylic acid is 503.09 g/mol.
Where can I buy 2',3'-O-((4-((2-Chloroethyl)methylamino)phenyl)methylene)-5'-uridylic acid?
You can request a quote for 2',3'-O-((4-((2-Chloroethyl)methylamino)phenyl)methylene)-5'-uridylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2',3'-O-((4-((2-Chloroethyl)methylamino)phenyl)methylene)-5'-uridylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2',3'-O-((4-((2-Chloroethyl)methylamino)phenyl)methylene)-5'-uridylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.