3'-O,5'-O-Bis(4-chlorobenzoyl)-2'-deoxy-5-(trifluoromethyl)uridine
TL;DR: 3'-O,5'-O-Bis(4-chlorobenzoyl)-2'-deoxy-5-(trifluoromethyl)uridine (CAS 129664-47-7) is a chemical compound with molecular formula C24H17Cl2F3N2O7 and molecular weight 572.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-3-(4-chlorobenzoyl)oxy-5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]oxolan-2-yl]methyl 4-chlorobenzoate
Also Known As: J3.064.644D, 3'-O,5'-O-Bis(4-chlorobenzoyl)-2'-deoxy-5-(trifluoromethyl)uridine, 3 -O,5 -O-Bis(4-chlorobenzoyl)-2 -deoxy-5-(trifluoromethyl)uridine, ((2R,3S,5R)-3-((4-Chlorobenzoyl)Oxy)-5-(2,4-Dioxo-5-(Trifluoromethyl)-3,4-Dihydropyrimidin-1(2H)-Yl)Tetrahydrofuran-2-Yl)Methyl 4-Chlorobenzoate, (2R,3S,5R)-2-[(4-chlorobenzoyloxy)methyl]-5-[2,4-dioxo-5-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidin-1-yl]oxolan-3-yl 4-chlorobenzoate
| Molecular Formula | C24H17Cl2F3N2O7 |
|---|---|
| Molecular Weight | 572.04 g/mol |
| LogP | 4.2323 |
| Topological Polar Surface Area | 116.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 572.0365 |
| Heavy Atoms | 38 |
| Complexity | 1454.0664 |
Chemical Identifiers
| CAS Number | 129664-47-7 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(F)(F)F)COC(=O)C3=CC=C(C=C3)Cl)OC(=O)C4=CC=C(C=C4)Cl |
Product Overview
3'-O,5'-O-Bis(4-chlorobenzoyl)-2'-deoxy-5-(trifluoromethyl)uridine (CAS 129664-47-7), with molecular formula C24H17Cl2F3N2O7 and molecular weight 572.04 g/mol. IUPAC: [(2R,3S,5R)-3-(4-chlorobenzoyl)oxy-5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]oxolan-2-yl]methyl 4-chlorobenzoate.
Chemical Property Profile of 3'-O,5'-O-Bis(4-chlorobenzoyl)-2'-deoxy-5-(trifluoromethyl)uridine
Property Insights of 3'-O,5'-O-Bis(4-chlorobenzoyl)-2'-deoxy-5-(trifluoromethyl)uridine
The XLogP value of 4.2323 indicates that 3'-O,5'-O-Bis(4-chlorobenzoyl)-2'-deoxy-5-(trifluoromethyl)uridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-O,5'-O-Bis(4-chlorobenzoyl)-2'-deoxy-5-(trifluoromethyl)uridine. Following Lipinski's Rule of Five, 3'-O,5'-O-Bis(4-chlorobenzoyl)-2'-deoxy-5-(trifluoromethyl)uridine has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3'-O,5'-O-Bis(4-chlorobenzoyl)-2'-deoxy-5-(trifluoromethyl)uridine?
The CAS number of 3'-O,5'-O-Bis(4-chlorobenzoyl)-2'-deoxy-5-(trifluoromethyl)uridine is 129664-47-7.
What is the molecular formula of 3'-O,5'-O-Bis(4-chlorobenzoyl)-2'-deoxy-5-(trifluoromethyl)uridine?
The molecular formula of 3'-O,5'-O-Bis(4-chlorobenzoyl)-2'-deoxy-5-(trifluoromethyl)uridine is C24H17Cl2F3N2O7.
What is the molecular weight of 3'-O,5'-O-Bis(4-chlorobenzoyl)-2'-deoxy-5-(trifluoromethyl)uridine?
The molecular weight of 3'-O,5'-O-Bis(4-chlorobenzoyl)-2'-deoxy-5-(trifluoromethyl)uridine is 572.04 g/mol.
Where can I buy 3'-O,5'-O-Bis(4-chlorobenzoyl)-2'-deoxy-5-(trifluoromethyl)uridine?
You can request a quote for 3'-O,5'-O-Bis(4-chlorobenzoyl)-2'-deoxy-5-(trifluoromethyl)uridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-O,5'-O-Bis(4-chlorobenzoyl)-2'-deoxy-5-(trifluoromethyl)uridine?
Yes, KEHONG BIO provides custom synthesis services for 3'-O,5'-O-Bis(4-chlorobenzoyl)-2'-deoxy-5-(trifluoromethyl)uridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.