0L-ddAMP-bis(tert-ButylSATE)
TL;DR: 0L-ddAMP-bis(tert-ButylSATE) (CAS 186648-57-7) 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-[[(2R,5S)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate
Also Known As: 0L-ddAMP-bis(tert-ButylSATE), UA482, J1.171.190A, [5-(6-aminopurin-9-yl)oxolan-2-yl]methyl [2-(2,2-dimethylpropanoylthio)ethyl]phosphate, (2R)-5beta-(6-Amino-9H-purine-9-yl)tetrahydrofuran-2beta-methanol [phosphoric acid bis[2-(pivaloylthio)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 | 186648-57-7 |
|---|---|
| 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-SJORKVTESA-N |
Product Overview
0L-ddAMP-bis(tert-ButylSATE) (CAS 186648-57-7), with molecular formula C24H38N5O7PS2 and molecular weight 603.20 g/mol. IUPAC: S-[2-[[(2R,5S)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate.
Chemical Property Profile of 0L-ddAMP-bis(tert-ButylSATE)
Property Insights of 0L-ddAMP-bis(tert-ButylSATE)
The XLogP value of 3.4 indicates that 0L-ddAMP-bis(tert-ButylSATE) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 208.0 Ų indicates high polarity, suggesting 0L-ddAMP-bis(tert-ButylSATE) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 0L-ddAMP-bis(tert-ButylSATE) 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 0L-ddAMP-bis(tert-ButylSATE)?
The CAS number of 0L-ddAMP-bis(tert-ButylSATE) is 186648-57-7.
What is the molecular formula of 0L-ddAMP-bis(tert-ButylSATE)?
The molecular formula of 0L-ddAMP-bis(tert-ButylSATE) is C24H38N5O7PS2.
What is the molecular weight of 0L-ddAMP-bis(tert-ButylSATE)?
The molecular weight of 0L-ddAMP-bis(tert-ButylSATE) is 603.20 g/mol.
Where can I buy 0L-ddAMP-bis(tert-ButylSATE)?
You can request a quote for 0L-ddAMP-bis(tert-ButylSATE) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 0L-ddAMP-bis(tert-ButylSATE)?
Yes, KEHONG BIO provides custom synthesis services for 0L-ddAMP-bis(tert-ButylSATE) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.