3'-Azido-3'-deoxy-thymidine, 5'-cyclohexyl phosphonate
TL;DR: 3'-Azido-3'-deoxy-thymidine, 5'-cyclohexyl phosphonate (CAS 329237-23-2) is a chemical compound with molecular formula C16H23N5O6P+ and molecular weight 412.14 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-cyclohexyloxy-oxophosphanium
Also Known As: Phosphonate deriv. of AZT, J1.468.664I, 3'-Azido-3'-deoxy-thymidine, 5'-cyclohexyl phosphonate, Thymidine, 3'-azido-3'-deoxy-, 5'-(cyclohexyl phosphonate) (9CI), 3 -Azido-3 -deoxythymidine 5 -(phosphonic acid cyclohexyl) ester
| Molecular Formula | C16H23N5O6P+ |
|---|---|
| Molecular Weight | 412.14 g/mol |
| LogP | 2.83472 |
| Topological Polar Surface Area | 148.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.13858 |
| Heavy Atoms | 28 |
| Complexity | 873.01117 |
Chemical Identifiers
| CAS Number | 329237-23-2 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P+](=O)OC3CCCCC3)N=[N+]=[N-] |
Product Overview
3'-Azido-3'-deoxy-thymidine, 5'-cyclohexyl phosphonate (CAS 329237-23-2), with molecular formula C16H23N5O6P+ and molecular weight 412.14 g/mol. IUPAC: [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-cyclohexyloxy-oxophosphanium.
Chemical Property Profile of 3'-Azido-3'-deoxy-thymidine, 5'-cyclohexyl phosphonate
Property Insights of 3'-Azido-3'-deoxy-thymidine, 5'-cyclohexyl phosphonate
The XLogP value of 2.83472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Azido-3'-deoxy-thymidine, 5'-cyclohexyl phosphonate. The TPSA of 148.38 Ų indicates high polarity, suggesting 3'-Azido-3'-deoxy-thymidine, 5'-cyclohexyl phosphonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-Azido-3'-deoxy-thymidine, 5'-cyclohexyl 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'-cyclohexyl phosphonate?
The CAS number of 3'-Azido-3'-deoxy-thymidine, 5'-cyclohexyl phosphonate is 329237-23-2.
What is the molecular formula of 3'-Azido-3'-deoxy-thymidine, 5'-cyclohexyl phosphonate?
The molecular formula of 3'-Azido-3'-deoxy-thymidine, 5'-cyclohexyl phosphonate is C16H23N5O6P+.
What is the molecular weight of 3'-Azido-3'-deoxy-thymidine, 5'-cyclohexyl phosphonate?
The molecular weight of 3'-Azido-3'-deoxy-thymidine, 5'-cyclohexyl phosphonate is 412.14 g/mol.
Where can I buy 3'-Azido-3'-deoxy-thymidine, 5'-cyclohexyl phosphonate?
You can request a quote for 3'-Azido-3'-deoxy-thymidine, 5'-cyclohexyl 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'-cyclohexyl phosphonate?
Yes, KEHONG BIO provides custom synthesis services for 3'-Azido-3'-deoxy-thymidine, 5'-cyclohexyl phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.