Bis(dihexanoyl-mprp)
TL;DR: Bis(dihexanoyl-mprp) (CAS 83385-95-9) is a chemical compound with molecular formula C44H64N8O17P2S2 and molecular weight 1102.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4R,5R)-2-[[[[(2R,3R,4R,5R)-3,4-di(hexanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-hexanoyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] hexanoate
Also Known As: Bis(dihexanoyl-mprp), P(1),P(2)-Bis(O(2'),O(3')-dihexanoyl-6-mercaptopurine-9 beta-ribofuranoside)-5'-pyrophosphate, Inosine 5'- (trihydrogen diphosphate), 6-thio-, 2',3'-dihexanoate, 5'-5'-ester with 6-thioinosine 2',3'-dihexanoate, Inosine 5'-(trihydrogen diphosphate), 6-thio-, 2',3'-dihexanoate, 5'-5'-ester with 6-thioinosine 2',3'-dihexanoate, Oxybis[(hydroxyphosphoryl)oxymethylene-(2R,3R,4R,5R)-5-(6-sulfanylidene-3,6-dihydro-9H-purin-9-yl)oxolane-2,3,4-triyl] tetrahexanoate
| Molecular Formula | C44H64N8O17P2S2 |
|---|---|
| Molecular Weight | 1102.33 g/mol |
| LogP | 8.00518 |
| Topological Polar Surface Area | 318.95 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 30 |
| Exact Mass | 1102.3306 |
| Heavy Atoms | 73 |
| Complexity | 2540.7424 |
Chemical Identifiers
| CAS Number | 83385-95-9 |
|---|---|
| SMILES | CCCCCC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1OC(=O)CCCCC)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)CCCCC)OC(=O)CCCCC |
Product Overview
Bis(dihexanoyl-mprp) (CAS 83385-95-9), with molecular formula C44H64N8O17P2S2 and molecular weight 1102.33 g/mol. IUPAC: [(2R,3R,4R,5R)-2-[[[[(2R,3R,4R,5R)-3,4-di(hexanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-hexanoyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] hexanoate.
Chemical Property Profile of Bis(dihexanoyl-mprp)
Property Insights of Bis(dihexanoyl-mprp)
The XLogP value of 8.00518 indicates that Bis(dihexanoyl-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(dihexanoyl-mprp) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(dihexanoyl-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(dihexanoyl-mprp)?
The CAS number of Bis(dihexanoyl-mprp) is 83385-95-9.
What is the molecular formula of Bis(dihexanoyl-mprp)?
The molecular formula of Bis(dihexanoyl-mprp) is C44H64N8O17P2S2.
What is the molecular weight of Bis(dihexanoyl-mprp)?
The molecular weight of Bis(dihexanoyl-mprp) is 1102.33 g/mol.
Where can I buy Bis(dihexanoyl-mprp)?
You can request a quote for Bis(dihexanoyl-mprp) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(dihexanoyl-mprp)?
Yes, KEHONG BIO provides custom synthesis services for Bis(dihexanoyl-mprp) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.