2'-Chloro-2'-deoxyuridine 5'-diphosphate
TL;DR: 2'-Chloro-2'-deoxyuridine 5'-diphosphate (CAS 40111-66-8) is a chemical compound with molecular formula C9H13ClN2O11P2 and molecular weight 421.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4R,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Also Known As: 2'-Chloro-2'-DUDP, 2'-Chloro-2-deoxy-UDP, 2'-Chloro-2'-deoxyuridine 5'-diphosphate, Uridine 5'-(trihydrogen diphosphate), 2'-chloro-2'-deoxy-, 2 -Chloro-2 -deoxyuridine 5 -diphosphoric acid
| Molecular Formula | C9H13ClN2O11P2 |
|---|---|
| Molecular Weight | 421.97 g/mol |
| LogP | -1.3714 |
| Topological Polar Surface Area | 197.61 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.96832 |
| Heavy Atoms | 25 |
| Complexity | 833.3308 |
Chemical Identifiers
| CAS Number | 40111-66-8 |
|---|---|
| SMILES | C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)Cl |
Product Overview
2'-Chloro-2'-deoxyuridine 5'-diphosphate (CAS 40111-66-8), with molecular formula C9H13ClN2O11P2 and molecular weight 421.97 g/mol. IUPAC: [(2R,3R,4R,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate.
Chemical Property Profile of 2'-Chloro-2'-deoxyuridine 5'-diphosphate
Property Insights of 2'-Chloro-2'-deoxyuridine 5'-diphosphate
The XLogP value of -1.3714 indicates that 2'-Chloro-2'-deoxyuridine 5'-diphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 197.61 Ų indicates high polarity, suggesting 2'-Chloro-2'-deoxyuridine 5'-diphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'-Chloro-2'-deoxyuridine 5'-diphosphate has 5 hydrogen bond donor(s) and 8 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 2'-Chloro-2'-deoxyuridine 5'-diphosphate?
The CAS number of 2'-Chloro-2'-deoxyuridine 5'-diphosphate is 40111-66-8.
What is the molecular formula of 2'-Chloro-2'-deoxyuridine 5'-diphosphate?
The molecular formula of 2'-Chloro-2'-deoxyuridine 5'-diphosphate is C9H13ClN2O11P2.
What is the molecular weight of 2'-Chloro-2'-deoxyuridine 5'-diphosphate?
The molecular weight of 2'-Chloro-2'-deoxyuridine 5'-diphosphate is 421.97 g/mol.
Where can I buy 2'-Chloro-2'-deoxyuridine 5'-diphosphate?
You can request a quote for 2'-Chloro-2'-deoxyuridine 5'-diphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Chloro-2'-deoxyuridine 5'-diphosphate?
Yes, KEHONG BIO provides custom synthesis services for 2'-Chloro-2'-deoxyuridine 5'-diphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.