tBuSATB-ddA
TL;DR: tBuSATB-ddA (CAS 2032-68-0) is a chemical compound with molecular formula C28H46N5O7PS2 and molecular weight 659.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[4-[[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-[4-(2,2-dimethylpropanoylsulfanyl)butoxy]phosphoryl]oxybutyl] 2,2-dimethylpropanethioate
Also Known As: tBuSATB-ddA, 5'-Adenylic acid, 2',3'-dideoxy-, bis(4-((2,2-dimethyl-1-oxopropyl)thio)butyl) ester, Bis(S-pivaloyl-4-thiobutyl)-2',3'-dideoxy-5''-adenosinyl -phosphate, s-(10-{[(2s,5r)-5-(6-amino-9h-purin-9-yl)tetrahydrofuran-2-yl]methoxy}-2,2-dimethyl-10-oxido-3-oxo-9,11-dioxa-4-thia-10, E5-phosphapentadecan-15-yl) 2,2-dimethylpropanethioate
| Molecular Formula | C28H46N5O7PS2 |
|---|---|
| Molecular Weight | 659.26 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 20 |
| Exact Mass | 659.2576 |
| Heavy Atoms | 43 |
| Complexity | 909.0 |
Chemical Identifiers
| CAS Number | 2032-68-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)SCCCCOP(=O)(OCCCCSC(=O)C(C)(C)C)OC[C@@H]1CC[C@@H](O1)N2C=NC3=C(N=CN=C32)N |
| InChIKey | HWWIRTGDEWSULO-LEWJYISDSA-N |
Product Overview
tBuSATB-ddA (CAS 2032-68-0), with molecular formula C28H46N5O7PS2 and molecular weight 659.26 g/mol. IUPAC: S-[4-[[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-[4-(2,2-dimethylpropanoylsulfanyl)butoxy]phosphoryl]oxybutyl] 2,2-dimethylpropanethioate.
Chemical Property Profile of tBuSATB-ddA
Property Insights of tBuSATB-ddA
The XLogP value of 4.8 indicates that tBuSATB-ddA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 208.0 Ų indicates high polarity, suggesting tBuSATB-ddA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, tBuSATB-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 tBuSATB-ddA?
The CAS number of tBuSATB-ddA is 2032-68-0.
What is the molecular formula of tBuSATB-ddA?
The molecular formula of tBuSATB-ddA is C28H46N5O7PS2.
What is the molecular weight of tBuSATB-ddA?
The molecular weight of tBuSATB-ddA is 659.26 g/mol.
Where can I buy tBuSATB-ddA?
You can request a quote for tBuSATB-ddA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tBuSATB-ddA?
Yes, KEHONG BIO provides custom synthesis services for tBuSATB-ddA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.