SATE ddA
TL;DR: SATE ddA (CAS 159929-71-2) is a chemical compound with molecular formula C18H26N5O7PS2 and molecular weight 519.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[2-acetylsulfanylethoxy-[[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] ethanethioate
Also Known As: SATE ddA, Bis(S-COCH3-2-SEt)ddAMP, Bis(SATE)phosphotriester deriv., Bis(S-acetyl-2-thioethyl)-2',3'-dideoxy-adenosine monophosphate, 2 ,3 -Dideoxyadenosine 5 -[phosphoric acid bis[2-(acetylthio)ethyl]] ester
| Molecular Formula | C18H26N5O7PS2 |
|---|---|
| Molecular Weight | 519.10 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 14 |
| Exact Mass | 519.10114 |
| Heavy Atoms | 33 |
| Complexity | 698.0 |
Chemical Identifiers
| CAS Number | 159929-71-2 |
|---|---|
| SMILES | CC(=O)SCCOP(=O)(OCCSC(=O)C)OC[C@@H]1CC[C@@H](O1)N2C=NC3=C(N=CN=C32)N |
| InChIKey | HEXCDKNCPCOTNK-LSDHHAIUSA-N |
Product Overview
SATE ddA (CAS 159929-71-2), with molecular formula C18H26N5O7PS2 and molecular weight 519.10 g/mol. IUPAC: S-[2-[2-acetylsulfanylethoxy-[[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] ethanethioate.
Chemical Property Profile of SATE ddA
Property Insights of SATE ddA
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SATE ddA. The TPSA of 208.0 Ų indicates high polarity, suggesting SATE ddA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, SATE ddA has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SATE ddA?
The CAS number of SATE ddA is 159929-71-2.
What is the molecular formula of SATE ddA?
The molecular formula of SATE ddA is C18H26N5O7PS2.
What is the molecular weight of SATE ddA?
The molecular weight of SATE ddA is 519.10 g/mol.
Where can I buy SATE ddA?
You can request a quote for SATE ddA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SATE ddA?
Yes, KEHONG BIO provides custom synthesis services for SATE ddA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.