3'-Azido-3'-deoxy-thymidine, 5'-isopropyl phosphonate
TL;DR: 3'-Azido-3'-deoxy-thymidine, 5'-isopropyl phosphonate (CAS 329237-18-5) is a chemical compound with molecular formula C13H19N5O6P+ and molecular weight 372.11 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-oxo-propan-2-yloxyphosphanium
Also Known As: Phosphonate deriv. of AZT, J1.468.663K, 3'-Azido-3'-deoxy-thymidine, 5'-isopropyl phosphonate, 3 -Azido-3 -deoxythymidine 5 -(phosphonic acid isopropyl) ester, 3 -Azido-3 -deoxythymidine 5 -phosphonic acid isopropyl ester
| Molecular Formula | C13H19N5O6P+ |
|---|---|
| Molecular Weight | 372.11 g/mol |
| LogP | 1.91042 |
| Topological Polar Surface Area | 148.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 372.1073 |
| Heavy Atoms | 25 |
| Complexity | 798.8347 |
Chemical Identifiers
| CAS Number | 329237-18-5 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P+](=O)OC(C)C)N=[N+]=[N-] |
Product Overview
3'-Azido-3'-deoxy-thymidine, 5'-isopropyl phosphonate (CAS 329237-18-5), with molecular formula C13H19N5O6P+ and molecular weight 372.11 g/mol. IUPAC: [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxo-propan-2-yloxyphosphanium.
Chemical Property Profile of 3'-Azido-3'-deoxy-thymidine, 5'-isopropyl phosphonate
Property Insights of 3'-Azido-3'-deoxy-thymidine, 5'-isopropyl phosphonate
The XLogP value of 1.91042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Azido-3'-deoxy-thymidine, 5'-isopropyl phosphonate. The TPSA of 148.38 Ų indicates high polarity, suggesting 3'-Azido-3'-deoxy-thymidine, 5'-isopropyl phosphonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-Azido-3'-deoxy-thymidine, 5'-isopropyl phosphonate has 1 hydrogen bond donor(s) and 7 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'-deoxy-thymidine, 5'-isopropyl phosphonate?
The CAS number of 3'-Azido-3'-deoxy-thymidine, 5'-isopropyl phosphonate is 329237-18-5.
What is the molecular formula of 3'-Azido-3'-deoxy-thymidine, 5'-isopropyl phosphonate?
The molecular formula of 3'-Azido-3'-deoxy-thymidine, 5'-isopropyl phosphonate is C13H19N5O6P+.
What is the molecular weight of 3'-Azido-3'-deoxy-thymidine, 5'-isopropyl phosphonate?
The molecular weight of 3'-Azido-3'-deoxy-thymidine, 5'-isopropyl phosphonate is 372.11 g/mol.
Where can I buy 3'-Azido-3'-deoxy-thymidine, 5'-isopropyl phosphonate?
You can request a quote for 3'-Azido-3'-deoxy-thymidine, 5'-isopropyl 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'-deoxy-thymidine, 5'-isopropyl phosphonate?
Yes, KEHONG BIO provides custom synthesis services for 3'-Azido-3'-deoxy-thymidine, 5'-isopropyl phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.