MRS 2279
TL;DR: MRS 2279 (CAS 367909-40-8) is a chemical compound with molecular formula C13H20ClN5O8P2 and molecular weight 471.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,4R)-4-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-2-phosphonooxycyclopentyl]methyl dihydrogen phosphate
Also Known As: MRS 2279, [3H]MRS2279, [3H]-MRS2279, SID:385156887, [(1R,2S,4R)-4-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-2-phosphonooxycyclopentyl]methyl dihydrogen phosphate
| Molecular Formula | C13H20ClN5O8P2 |
|---|---|
| Molecular Weight | 471.05 g/mol |
| LogP | 1.1348 |
| Topological Polar Surface Area | 189.15 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.04758 |
| Heavy Atoms | 29 |
| Complexity | 977.51025 |
Chemical Identifiers
| CAS Number | 367909-40-8 |
|---|---|
| SMILES | CNC1=C2C(=NC(=N1)Cl)N(C=N2)C[C@@H]3C[C@@H]([C@H](C3)OP(=O)(O)O)COP(=O)(O)O |
Product Overview
MRS 2279 (CAS 367909-40-8), with molecular formula C13H20ClN5O8P2 and molecular weight 471.05 g/mol. IUPAC: [(1R,2S,4R)-4-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-2-phosphonooxycyclopentyl]methyl dihydrogen phosphate.
Chemical Property Profile of MRS 2279
Property Insights of MRS 2279
The XLogP value of 1.1348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MRS 2279. The TPSA of 189.15 Ų indicates high polarity, suggesting MRS 2279 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, MRS 2279 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 2279?
The CAS number of MRS 2279 is 367909-40-8.
What is the molecular formula of MRS 2279?
The molecular formula of MRS 2279 is C13H20ClN5O8P2.
What is the molecular weight of MRS 2279?
The molecular weight of MRS 2279 is 471.05 g/mol.
Where can I buy MRS 2279?
You can request a quote for MRS 2279 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MRS 2279?
Yes, KEHONG BIO provides custom synthesis services for MRS 2279 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.