P-ethylthymidylyl-(3'-5')-thymidine
TL;DR: P-ethylthymidylyl-(3'-5')-thymidine (CAS 35002-96-1) is a chemical compound with molecular formula C22H31N4O12P and molecular weight 574.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] phosphate
Also Known As: Dtpdt ethylphosphotriester, Dtp(Et)dT, P-Ethylthymidylyl-(3'-5')-thymidine, Thymidine, P-ethylthymidylyl-(3'-5')-, J2.241.502F
| Molecular Formula | C22H31N4O12P |
|---|---|
| Molecular Weight | 574.17 g/mol |
| LogP | -0.82176 |
| Topological Polar Surface Area | 213.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 574.1676 |
| Heavy Atoms | 39 |
| Complexity | 1464.4031 |
Chemical Identifiers
| CAS Number | 35002-96-1 |
|---|---|
| SMILES | CCOP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O)O[C@H]3C[C@@H](O[C@@H]3CO)N4C=C(C(=O)NC4=O)C |
Product Overview
P-ethylthymidylyl-(3'-5')-thymidine (CAS 35002-96-1), with molecular formula C22H31N4O12P and molecular weight 574.17 g/mol. IUPAC: ethyl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] phosphate.
Chemical Property Profile of P-ethylthymidylyl-(3'-5')-thymidine
Property Insights of P-ethylthymidylyl-(3'-5')-thymidine
The XLogP value of -0.82176 indicates that P-ethylthymidylyl-(3'-5')-thymidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 213.4 Ų indicates high polarity, suggesting P-ethylthymidylyl-(3'-5')-thymidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, P-ethylthymidylyl-(3'-5')-thymidine has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of P-ethylthymidylyl-(3'-5')-thymidine?
The CAS number of P-ethylthymidylyl-(3'-5')-thymidine is 35002-96-1.
What is the molecular formula of P-ethylthymidylyl-(3'-5')-thymidine?
The molecular formula of P-ethylthymidylyl-(3'-5')-thymidine is C22H31N4O12P.
What is the molecular weight of P-ethylthymidylyl-(3'-5')-thymidine?
The molecular weight of P-ethylthymidylyl-(3'-5')-thymidine is 574.17 g/mol.
Where can I buy P-ethylthymidylyl-(3'-5')-thymidine?
You can request a quote for P-ethylthymidylyl-(3'-5')-thymidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for P-ethylthymidylyl-(3'-5')-thymidine?
Yes, KEHONG BIO provides custom synthesis services for P-ethylthymidylyl-(3'-5')-thymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.