5-(4-苯醌基)-2-脱氧尿苷 5-磷酸
TL;DR: 5-(4-苯醌基)-2-脱氧尿苷 5-磷酸 (CAS 87414-22-0) is a chemical compound with molecular formula C15H15N2O10P and molecular weight 414.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-苯醌基)-2-脱氧尿苷 5-磷酸
[(2R,3S,5R)-5-[5-(3,6-dioxocyclohexa-1,4-dien-1-yl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Also Known As: 5-Bqdp, 5-(4-Benzoquinonyl)-2'-deoxyuridine 5'-phosphate, 5'-Uridylic acid, 2'-deoxy-5-(3,6-dioxo-1,4-cyclohexadien-1-yl)-, ((2R,3S,5R)-5-(5-(3,6-Dioxocyclohexa-1,4-dien-1-yl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate, 5'-Uridylic acid,2'-deoxy-5-(3,6-dioxo-1,4-cyclohexadien-1-yl)- (9CI)
| Molecular Formula | C15H15N2O10P |
|---|---|
| Molecular Weight | 414.05 g/mol |
| LogP | -3.4 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.04642 |
| Heavy Atoms | 28 |
| Complexity | 885.0 |
Chemical Identifiers
| CAS Number | 87414-22-0 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C3=CC(=O)C=CC3=O)COP(=O)(O)O)O |
| InChIKey | DNVOIKAHGQQSAD-YNEHKIRRSA-N |
Product Overview
5-(4-苯醌基)-2-脱氧尿苷 5-磷酸 (CAS 87414-22-0), with molecular formula C15H15N2O10P and molecular weight 414.05 g/mol. IUPAC: [(2R,3S,5R)-5-[5-(3,6-dioxocyclohexa-1,4-dien-1-yl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate.
Chemical Property Profile of 5-(4-苯醌基)-2-脱氧尿苷 5-磷酸
Property Insights of 5-(4-苯醌基)-2-脱氧尿苷 5-磷酸
The XLogP value of -3.4 indicates that 5-(4-苯醌基)-2-脱氧尿苷 5-磷酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 180.0 Ų indicates high polarity, suggesting 5-(4-苯醌基)-2-脱氧尿苷 5-磷酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(4-苯醌基)-2-脱氧尿苷 5-磷酸 has 4 hydrogen bond donor(s) and 10 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 5-(4-苯醌基)-2-脱氧尿苷 5-磷酸?
The CAS number of 5-(4-苯醌基)-2-脱氧尿苷 5-磷酸 is 87414-22-0.
What is the molecular formula of 5-(4-苯醌基)-2-脱氧尿苷 5-磷酸?
The molecular formula of 5-(4-苯醌基)-2-脱氧尿苷 5-磷酸 is C15H15N2O10P.
What is the molecular weight of 5-(4-苯醌基)-2-脱氧尿苷 5-磷酸?
The molecular weight of 5-(4-苯醌基)-2-脱氧尿苷 5-磷酸 is 414.05 g/mol.
Where can I buy 5-(4-苯醌基)-2-脱氧尿苷 5-磷酸?
You can request a quote for 5-(4-苯醌基)-2-脱氧尿苷 5-磷酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-苯醌基)-2-脱氧尿苷 5-磷酸?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-苯醌基)-2-脱氧尿苷 5-磷酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.