3'-Azido-3'-deoxythymidine-5'-(ethyl methoxyvalinyl)phosphate
TL;DR: 3'-Azido-3'-deoxythymidine-5'-(ethyl methoxyvalinyl)phosphate (CAS 133201-14-6) is a chemical compound with molecular formula C18H29N6O8P and molecular weight 488.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-ethoxyphosphoryl]amino]-3-methylbutanoate
Also Known As: AZT Prodrug, 5'-MeValPO3(Et) AZT, 2,5-dihydroxy-tetrahydrofuran, 3'-Azido-3'-deoxythymidine-5'-(ethyl methoxyvalinyl)phosphate, L-Valine, N-(3'-azido-3'-deoxy-P-ethyl-5'-thymidylyl)-, methyl ester, (R)-
| Molecular Formula | C18H29N6O8P |
|---|---|
| Molecular Weight | 488.18 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 488.17844 |
| Heavy Atoms | 33 |
| Complexity | 889.0 |
Chemical Identifiers
| CAS Number | 133201-14-6 |
|---|---|
| SMILES | CCOP(=O)(N[C@@H](C(C)C)C(=O)OC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-] |
| InChIKey | GGZPMMRIYIRBDM-RXJKDQPTSA-N |
Product Overview
3'-Azido-3'-deoxythymidine-5'-(ethyl methoxyvalinyl)phosphate (CAS 133201-14-6), with molecular formula C18H29N6O8P and molecular weight 488.18 g/mol. IUPAC: methyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-ethoxyphosphoryl]amino]-3-methylbutanoate.
Chemical Property Profile of 3'-Azido-3'-deoxythymidine-5'-(ethyl methoxyvalinyl)phosphate
Property Insights of 3'-Azido-3'-deoxythymidine-5'-(ethyl methoxyvalinyl)phosphate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Azido-3'-deoxythymidine-5'-(ethyl methoxyvalinyl)phosphate. The TPSA of 147.0 Ų indicates high polarity, suggesting 3'-Azido-3'-deoxythymidine-5'-(ethyl methoxyvalinyl)phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-Azido-3'-deoxythymidine-5'-(ethyl methoxyvalinyl)phosphate has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3'-Azido-3'-deoxythymidine-5'-(ethyl methoxyvalinyl)phosphate?
The CAS number of 3'-Azido-3'-deoxythymidine-5'-(ethyl methoxyvalinyl)phosphate is 133201-14-6.
What is the molecular formula of 3'-Azido-3'-deoxythymidine-5'-(ethyl methoxyvalinyl)phosphate?
The molecular formula of 3'-Azido-3'-deoxythymidine-5'-(ethyl methoxyvalinyl)phosphate is C18H29N6O8P.
What is the molecular weight of 3'-Azido-3'-deoxythymidine-5'-(ethyl methoxyvalinyl)phosphate?
The molecular weight of 3'-Azido-3'-deoxythymidine-5'-(ethyl methoxyvalinyl)phosphate is 488.18 g/mol.
Where can I buy 3'-Azido-3'-deoxythymidine-5'-(ethyl methoxyvalinyl)phosphate?
You can request a quote for 3'-Azido-3'-deoxythymidine-5'-(ethyl methoxyvalinyl)phosphate 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 methoxyvalinyl)phosphate?
Yes, KEHONG BIO provides custom synthesis services for 3'-Azido-3'-deoxythymidine-5'-(ethyl methoxyvalinyl)phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.