thymidine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate
TL;DR: thymidine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate (CAS 115365-14-5) is a chemical compound with molecular formula C14H21N2O9P and molecular weight 392.10 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]methoxy-methoxyphosphoryl]formate
Also Known As: thymidine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate, thymidine 5'-[(ethoxycarbonyl)-O-methyl]phosphonate, Thymidine, 5'-[methyl(ethoxycarbonyl)phosphonate] (9CI), ((1-(2,4-Dioxo-5-methyl-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinecarboxylic acid ethyl ester oxide, ethyl [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-methoxy-phosphoryl]formate
| Molecular Formula | C14H21N2O9P |
|---|---|
| Molecular Weight | 392.10 g/mol |
| LogP | 0.50602 |
| Topological Polar Surface Area | 146.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 392.09848 |
| Heavy Atoms | 26 |
| Complexity | 817.37085 |
Chemical Identifiers
| CAS Number | 115365-14-5 |
|---|---|
| SMILES | CCOC(=O)P(=O)(OC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O |
Product Overview
thymidine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate (CAS 115365-14-5), with molecular formula C14H21N2O9P and molecular weight 392.10 g/mol. IUPAC: ethyl [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methoxyphosphoryl]formate.
Chemical Property Profile of thymidine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate
Property Insights of thymidine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate
The XLogP value of 0.50602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for thymidine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate. The TPSA of 146.15 Ų indicates high polarity, suggesting thymidine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, thymidine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate has 2 hydrogen bond donor(s) and 9 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 thymidine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate?
The CAS number of thymidine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate is 115365-14-5.
What is the molecular formula of thymidine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate?
The molecular formula of thymidine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate is C14H21N2O9P.
What is the molecular weight of thymidine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate?
The molecular weight of thymidine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate is 392.10 g/mol.
Where can I buy thymidine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate?
You can request a quote for thymidine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for thymidine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate?
Yes, KEHONG BIO provides custom synthesis services for thymidine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.