Bis(t-ButylOC)PMPA
TL;DR: Bis(t-ButylOC)PMPA (CAS 201341-01-7) is a chemical compound with molecular formula C21H34N5O10P and molecular weight 547.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[(2-methylpropan-2-yl)oxycarbonyloxymethoxy]phosphoryl]oxymethyl tert-butyl carbonate
Also Known As: Bis(t-ButylOC)PMPA, Tenofovir prodrug, 2,4,6,8-Tetraoxa-5-phosphanonanedioic acid, 5-((2-(6-amino-9H-purin-9-yl)-1-methylethoxy)methyl)-, bis(1,1-dimethylethyl) ester, 5-oxide, (R)-, [[(1R)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methyl-(tert-butoxycarbonyloxymethoxy)phosphoryl]oxymethyl tert-butyl carbonate, [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[(2-methylpropan-2-yl)oxycarbonyloxymethoxy]phosphoryl]oxymethyl tert-butyl carbonate
| Molecular Formula | C21H34N5O10P |
|---|---|
| Molecular Weight | 547.20 g/mol |
| LogP | 3.8158 |
| Topological Polar Surface Area | 185.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Exact Mass | 547.20435 |
| Heavy Atoms | 37 |
| Complexity | 1073.3112 |
Chemical Identifiers
| CAS Number | 201341-01-7 |
|---|---|
| SMILES | C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(OCOC(=O)OC(C)(C)C)OCOC(=O)OC(C)(C)C |
Product Overview
Bis(t-ButylOC)PMPA (CAS 201341-01-7), with molecular formula C21H34N5O10P and molecular weight 547.20 g/mol. IUPAC: [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[(2-methylpropan-2-yl)oxycarbonyloxymethoxy]phosphoryl]oxymethyl tert-butyl carbonate.
Chemical Property Profile of Bis(t-ButylOC)PMPA
Property Insights of Bis(t-ButylOC)PMPA
The XLogP value of 3.8158 indicates that Bis(t-ButylOC)PMPA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 185.44 Ų indicates high polarity, suggesting Bis(t-ButylOC)PMPA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(t-ButylOC)PMPA has 1 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(t-ButylOC)PMPA?
The CAS number of Bis(t-ButylOC)PMPA is 201341-01-7.
What is the molecular formula of Bis(t-ButylOC)PMPA?
The molecular formula of Bis(t-ButylOC)PMPA is C21H34N5O10P.
What is the molecular weight of Bis(t-ButylOC)PMPA?
The molecular weight of Bis(t-ButylOC)PMPA is 547.20 g/mol.
Where can I buy Bis(t-ButylOC)PMPA?
You can request a quote for Bis(t-ButylOC)PMPA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(t-ButylOC)PMPA?
Yes, KEHONG BIO provides custom synthesis services for Bis(t-ButylOC)PMPA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.