Bis(tBuSATE)ddAMP
TL;DR: Bis(tBuSATE)ddAMP (CAS 166335-18-8) is a chemical compound with molecular formula C24H38N5O7PS2 and molecular weight 603.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate
Also Known As: Bis(tBuSATE)ddAMP, UA482, 5'-Adenylic acid, 2',3'-dideoxy-, bis(2-((2,2-dimethyl-1-oxopropyl)thio)ethyl) ester, s-(4-{[(2s,5r)-5-(6-amino-9h-purin-9-yl)tetrahydrofuran-2-yl]methoxy}-10,10-dimethyl-4-oxido-9-oxo-3,5-dioxa-8-thia-4-phosphaundec-1-yl) 2,2-dimethylpropanethioate(non-preferred name), 5'-Adenylic acid, 2',3'-dideoxy-, bis[2-[(2,2-dimethyl-1-oxopropyl)thio]ethyl] ester
| Molecular Formula | C24H38N5O7PS2 |
|---|---|
| Molecular Weight | 603.20 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 16 |
| Exact Mass | 603.195 |
| Heavy Atoms | 39 |
| Complexity | 850.0 |
Chemical Identifiers
| CAS Number | 166335-18-8 |
|---|---|
| SMILES | CC(C)(C)C(=O)SCCOP(=O)(OCCSC(=O)C(C)(C)C)OC[C@@H]1CC[C@@H](O1)N2C=NC3=C(N=CN=C32)N |
| InChIKey | LXYNKMTUKHOPPK-DLBZAZTESA-N |
Product Overview
Bis(tBuSATE)ddAMP (CAS 166335-18-8), with molecular formula C24H38N5O7PS2 and molecular weight 603.20 g/mol. IUPAC: S-[2-[[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate.
Chemical Property Profile of Bis(tBuSATE)ddAMP
Property Insights of Bis(tBuSATE)ddAMP
The XLogP value of 3.4 indicates that Bis(tBuSATE)ddAMP is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 208.0 Ų indicates high polarity, suggesting Bis(tBuSATE)ddAMP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(tBuSATE)ddAMP 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 Bis(tBuSATE)ddAMP?
The CAS number of Bis(tBuSATE)ddAMP is 166335-18-8.
What is the molecular formula of Bis(tBuSATE)ddAMP?
The molecular formula of Bis(tBuSATE)ddAMP is C24H38N5O7PS2.
What is the molecular weight of Bis(tBuSATE)ddAMP?
The molecular weight of Bis(tBuSATE)ddAMP is 603.20 g/mol.
Where can I buy Bis(tBuSATE)ddAMP?
You can request a quote for Bis(tBuSATE)ddAMP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(tBuSATE)ddAMP?
Yes, KEHONG BIO provides custom synthesis services for Bis(tBuSATE)ddAMP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.