MRS 2286
TL;DR: MRS 2286 (CAS 288318-05-8) is a chemical compound with molecular formula C11H18ClN5O8P2 and molecular weight 445.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[2-chloro-6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)butyl] dihydrogen phosphate
Also Known As: MRS 2286, J1.642.664D, (4-(2-Chloro-6-(methylamino)-9H-purin-9-yl)-2-((phosphonooxy)methyl)butoxy)phosphonic acid, 1,3-Propanediol, 2-(2-(2-chloro-6-(methylamino)-9H-purin-9-yl)ethyl)-, 1,3-bis(dihydrogen phosphate), 1,3-Propanediol, 2-(2-(2-chloro-6-(methylamino)-9H-purin-9-yl)ethyl)-, bis(dihydrogen phosphate) (ester)
| Molecular Formula | C11H18ClN5O8P2 |
|---|---|
| Molecular Weight | 445.03 g/mol |
| LogP | 0.7463 |
| Topological Polar Surface Area | 189.15 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 445.03192 |
| Heavy Atoms | 27 |
| Complexity | 857.0092 |
Chemical Identifiers
| CAS Number | 288318-05-8 |
|---|---|
| SMILES | CNC1=C2C(=NC(=N1)Cl)N(C=N2)CCC(COP(=O)(O)O)COP(=O)(O)O |
Product Overview
MRS 2286 (CAS 288318-05-8), with molecular formula C11H18ClN5O8P2 and molecular weight 445.03 g/mol. IUPAC: [4-[2-chloro-6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)butyl] dihydrogen phosphate.
Chemical Property Profile of MRS 2286
Property Insights of MRS 2286
The XLogP value of 0.7463 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MRS 2286. The TPSA of 189.15 Ų indicates high polarity, suggesting MRS 2286 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, MRS 2286 has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of MRS 2286?
The CAS number of MRS 2286 is 288318-05-8.
What is the molecular formula of MRS 2286?
The molecular formula of MRS 2286 is C11H18ClN5O8P2.
What is the molecular weight of MRS 2286?
The molecular weight of MRS 2286 is 445.03 g/mol.
Where can I buy MRS 2286?
You can request a quote for MRS 2286 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MRS 2286?
Yes, KEHONG BIO provides custom synthesis services for MRS 2286 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.