4-(Methylsulfonyl)phenyl bis(5-(2-bromovinyl)-2'-deoxyuridin-5-yl)phosphate
TL;DR: 4-(Methylsulfonyl)phenyl bis(5-(2-bromovinyl)-2'-deoxyuridin-5-yl)phosphate (CAS 125440-31-5) is a chemical compound with molecular formula C29H31Br2N4O14PS and molecular weight 879.9662 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis[[5-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl] (4-methylsulfonylphenyl) phosphate
Also Known As: 4-Mspbdu, 4-(Methylsulfonyl)phenyl bis(5-(2-bromovinyl)-2'-deoxyuridin-5-yl)phosphate, bis[[5-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl] (4-methylsulfonylphenyl) phosphate, (E,E)-5-(2-Bromoethenyl)-2'-deoxy-P-(4-(methylsulfonyl)phenyl)uridylyl-(5'-5')-5-(2-bromoethenyl)-2'-deoxyuridine, 4-(methylsulfonyl)phenyl bis(5-(2-bromovinyl)-2/'-deoxyuridin-5-yl)phosphate
Technical Specifications
| Molecular Formula | C29H31Br2N4O14PS |
| Molecular Weight | 879.9662 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 245.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 13 |
| Exact Mass | 879.9662 Da |
| Heavy Atoms | 51 |
| Complexity | 1570.0 |
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)OP(=O)(OCC2OC(CC2O)N3C(=O)NC(=O)C(=C3)/C=C/Br)OCC4OC(CC4O)N5C(=O)NC(=O)C(=C5)/C=C/Br |
| InChIKey | LOBDIXSEWDTNLH-CDJQDVQCSA-N |
Chemical Property Profile of 4-(Methylsulfonyl)phenyl bis(5-(2-bromovinyl)-2'-deoxyuridin-5-yl)phosphate
Property Insights of 4-(Methylsulfonyl)phenyl bis(5-(2-bromovinyl)-2'-deoxyuridin-5-yl)phosphate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methylsulfonyl)phenyl bis(5-(2-bromovinyl)-2'-deoxyuridin-5-yl)phosphate. The TPSA of 245.0 Ų indicates high polarity, suggesting 4-(Methylsulfonyl)phenyl bis(5-(2-bromovinyl)-2'-deoxyuridin-5-yl)phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(Methylsulfonyl)phenyl bis(5-(2-bromovinyl)-2'-deoxyuridin-5-yl)phosphate has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-(Methylsulfonyl)phenyl bis(5-(2-bromovinyl)-2'-deoxyuridin-5-yl)phosphate?
The CAS number of 4-(Methylsulfonyl)phenyl bis(5-(2-bromovinyl)-2'-deoxyuridin-5-yl)phosphate is 125440-31-5.
What is the molecular formula of 4-(Methylsulfonyl)phenyl bis(5-(2-bromovinyl)-2'-deoxyuridin-5-yl)phosphate?
The molecular formula of 4-(Methylsulfonyl)phenyl bis(5-(2-bromovinyl)-2'-deoxyuridin-5-yl)phosphate is C29H31Br2N4O14PS.
What is the molecular weight of 4-(Methylsulfonyl)phenyl bis(5-(2-bromovinyl)-2'-deoxyuridin-5-yl)phosphate?
The molecular weight of 4-(Methylsulfonyl)phenyl bis(5-(2-bromovinyl)-2'-deoxyuridin-5-yl)phosphate is 879.9662 g/mol.
Where can I buy 4-(Methylsulfonyl)phenyl bis(5-(2-bromovinyl)-2'-deoxyuridin-5-yl)phosphate?
You can request a quote for 4-(Methylsulfonyl)phenyl bis(5-(2-bromovinyl)-2'-deoxyuridin-5-yl)phosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Methylsulfonyl)phenyl bis(5-(2-bromovinyl)-2'-deoxyuridin-5-yl)phosphate?
Yes, CoreyChem provides custom synthesis services for 4-(Methylsulfonyl)phenyl bis(5-(2-bromovinyl)-2'-deoxyuridin-5-yl)phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.