3'-Azido-3'-deoxythymidine 5'-(ethyl)(aminocarbonyl)phosphonate
TL;DR: 3'-Azido-3'-deoxythymidine 5'-(ethyl)(aminocarbonyl)phosphonate (CAS 672940-64-6) is a chemical compound with molecular formula C13H19N6O7P and molecular weight 402.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-ethoxyphosphoryl]formamide
Also Known As: 3'-Azido-3'-deoxythymidine 5'-(ethyl)(aminocarbonyl)phosphonate, [[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-ethoxy-phosphoryl]formamide, [[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-ethoxyphosphoryl]formamide
| Molecular Formula | C13H19N6O7P |
|---|---|
| Molecular Weight | 402.11 g/mol |
| LogP | 1.13632 |
| Topological Polar Surface Area | 191.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 402.1053 |
| Heavy Atoms | 27 |
| Complexity | 920.46375 |
Chemical Identifiers
| CAS Number | 672940-64-6 |
|---|---|
| SMILES | CCOP(=O)(C(=O)N)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-] |
Product Overview
3'-Azido-3'-deoxythymidine 5'-(ethyl)(aminocarbonyl)phosphonate (CAS 672940-64-6), with molecular formula C13H19N6O7P and molecular weight 402.11 g/mol. IUPAC: [[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-ethoxyphosphoryl]formamide.
Chemical Property Profile of 3'-Azido-3'-deoxythymidine 5'-(ethyl)(aminocarbonyl)phosphonate
Property Insights of 3'-Azido-3'-deoxythymidine 5'-(ethyl)(aminocarbonyl)phosphonate
The XLogP value of 1.13632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Azido-3'-deoxythymidine 5'-(ethyl)(aminocarbonyl)phosphonate. The TPSA of 191.47 Ų indicates high polarity, suggesting 3'-Azido-3'-deoxythymidine 5'-(ethyl)(aminocarbonyl)phosphonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-Azido-3'-deoxythymidine 5'-(ethyl)(aminocarbonyl)phosphonate has 2 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 3'-Azido-3'-deoxythymidine 5'-(ethyl)(aminocarbonyl)phosphonate?
The CAS number of 3'-Azido-3'-deoxythymidine 5'-(ethyl)(aminocarbonyl)phosphonate is 672940-64-6.
What is the molecular formula of 3'-Azido-3'-deoxythymidine 5'-(ethyl)(aminocarbonyl)phosphonate?
The molecular formula of 3'-Azido-3'-deoxythymidine 5'-(ethyl)(aminocarbonyl)phosphonate is C13H19N6O7P.
What is the molecular weight of 3'-Azido-3'-deoxythymidine 5'-(ethyl)(aminocarbonyl)phosphonate?
The molecular weight of 3'-Azido-3'-deoxythymidine 5'-(ethyl)(aminocarbonyl)phosphonate is 402.11 g/mol.
Where can I buy 3'-Azido-3'-deoxythymidine 5'-(ethyl)(aminocarbonyl)phosphonate?
You can request a quote for 3'-Azido-3'-deoxythymidine 5'-(ethyl)(aminocarbonyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Azido-3'-deoxythymidine 5'-(ethyl)(aminocarbonyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for 3'-Azido-3'-deoxythymidine 5'-(ethyl)(aminocarbonyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.