Bis(dibutyryl-mprp)
TL;DR: Bis(dibutyryl-mprp) (CAS 83385-96-0) is a chemical compound with molecular formula C36H48N8O17P2S2 and molecular weight 990.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4R,5R)-4-butanoyloxy-2-[[[[(2R,3R,4R,5R)-3,4-di(butanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] butanoate
Also Known As: Bis(dibutyryl-mprp), P1,P2-Bis(dmrp), P(1),P(2)-Bis(O(2'),O(3')-dibutyryl-6-mercaptopurine-9 beta-ribofuranoside)-5'-pyrophosphate, Inosine 5'-(trihydrogen-diphosphate), 6-thio-, 2',3'-dibutanoate, 5'-5'-ester with 6-thioinosine 2',3'-dibutanoate, Oxybis[(hydroxyphosphoryl)oxymethylene-(2R,3R,4R,5R)-5-(6-sulfanylidene-3,6-dihydro-9H-purin-9-yl)oxolane-2,3,4-triyl] tetrabutanoate
| Molecular Formula | C36H48N8O17P2S2 |
|---|---|
| Molecular Weight | 990.21 g/mol |
| LogP | 4.88438 |
| Topological Polar Surface Area | 318.95 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 22 |
| Exact Mass | 990.2054 |
| Heavy Atoms | 65 |
| Complexity | 2399.874 |
Chemical Identifiers
| CAS Number | 83385-96-0 |
|---|---|
| SMILES | CCCC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1OC(=O)CCC)N2C=NC3=C2NC=NC3=S)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5NC=NC6=S)OC(=O)CCC)OC(=O)CCC |
Product Overview
Bis(dibutyryl-mprp) (CAS 83385-96-0), with molecular formula C36H48N8O17P2S2 and molecular weight 990.21 g/mol. IUPAC: [(2R,3R,4R,5R)-4-butanoyloxy-2-[[[[(2R,3R,4R,5R)-3,4-di(butanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] butanoate.
Chemical Property Profile of Bis(dibutyryl-mprp)
Property Insights of Bis(dibutyryl-mprp)
The XLogP value of 4.88438 indicates that Bis(dibutyryl-mprp) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 318.95 Ų indicates high polarity, suggesting Bis(dibutyryl-mprp) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(dibutyryl-mprp) has 4 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(dibutyryl-mprp)?
The CAS number of Bis(dibutyryl-mprp) is 83385-96-0.
What is the molecular formula of Bis(dibutyryl-mprp)?
The molecular formula of Bis(dibutyryl-mprp) is C36H48N8O17P2S2.
What is the molecular weight of Bis(dibutyryl-mprp)?
The molecular weight of Bis(dibutyryl-mprp) is 990.21 g/mol.
Where can I buy Bis(dibutyryl-mprp)?
You can request a quote for Bis(dibutyryl-mprp) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(dibutyryl-mprp)?
Yes, KEHONG BIO provides custom synthesis services for Bis(dibutyryl-mprp) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.