AZT-P(CyE)-ddA
TL;DR: AZT-P(CyE)-ddA (CAS 121135-52-2) is a chemical compound with molecular formula C23H28N11O8P and molecular weight 617.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-cyanoethyl phosphate
Also Known As: AZT-P(CyE)-ddA, 3'-Azido-3'-deoxythymidilyl-(5',5')-2',3'-dideoxy-5'-adenylic acid, 2-cyanoethyl ester, Adenosine, 3'-azido-P-(2-cyanoethyl)-3'-deoxythymidylyl-(5'-5')-2',3'-dideoxy-, Adenosine, 3'-azido-P-(2-cyanoethyl)-3'-deoxythymidylyl-(5' ==> 5')-2',3'-dideoxy-, Adenosine,3'-azido-P-(2-cyanoethyl)-3'-deoxythymidylyl-(5'(R)5')-2',3'-dideoxy-
| Molecular Formula | C23H28N11O8P |
|---|---|
| Molecular Weight | 617.19 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 220.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 12 |
| Exact Mass | 617.186 |
| Heavy Atoms | 43 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 121135-52-2 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OCCC#N)OC[C@@H]3CC[C@@H](O3)N4C=NC5=C(N=CN=C54)N)N=[N+]=[N-] |
| InChIKey | ZZOQOCAXOCFBLH-GTTJKFTRSA-N |
Product Overview
AZT-P(CyE)-ddA (CAS 121135-52-2), with molecular formula C23H28N11O8P and molecular weight 617.19 g/mol. IUPAC: [(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-cyanoethyl phosphate.
Chemical Property Profile of AZT-P(CyE)-ddA
Property Insights of AZT-P(CyE)-ddA
The XLogP value of -0.3 indicates that AZT-P(CyE)-ddA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 220.0 Ų indicates high polarity, suggesting AZT-P(CyE)-ddA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AZT-P(CyE)-ddA has 2 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AZT-P(CyE)-ddA?
The CAS number of AZT-P(CyE)-ddA is 121135-52-2.
What is the molecular formula of AZT-P(CyE)-ddA?
The molecular formula of AZT-P(CyE)-ddA is C23H28N11O8P.
What is the molecular weight of AZT-P(CyE)-ddA?
The molecular weight of AZT-P(CyE)-ddA is 617.19 g/mol.
Where can I buy AZT-P(CyE)-ddA?
You can request a quote for AZT-P(CyE)-ddA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AZT-P(CyE)-ddA?
Yes, KEHONG BIO provides custom synthesis services for AZT-P(CyE)-ddA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.