Adenosine 5'-chloromethylphosphonate
TL;DR: Adenosine 5'-chloromethylphosphonate (CAS 6637-32-7) is a chemical compound with molecular formula C11H15ClN5O6P and molecular weight 379.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-(chloromethyl)phosphinic acid
Also Known As: Adn 5'-cmpp, Adenosine 5'-chloromethylphosphonate, 5'-o-[(chloromethyl)(hydroxy)phosphoryl]adenosine, Adenosine, 5'-(hydrogen (chloromethyl)phosphonate), [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-(chloromethyl)phosphinic acid
| Molecular Formula | C11H15ClN5O6P |
|---|---|
| Molecular Weight | 379.04 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.04486 |
| Heavy Atoms | 24 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 6637-32-7 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CCl)O)O)O)N |
| InChIKey | WROKOHMLHVJHIQ-IOSLPCCCSA-N |
Product Overview
Adenosine 5'-chloromethylphosphonate (CAS 6637-32-7), with molecular formula C11H15ClN5O6P and molecular weight 379.04 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-(chloromethyl)phosphinic acid.
Chemical Property Profile of Adenosine 5'-chloromethylphosphonate
Property Insights of Adenosine 5'-chloromethylphosphonate
The XLogP value of -2.3 indicates that Adenosine 5'-chloromethylphosphonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.0 Ų indicates high polarity, suggesting Adenosine 5'-chloromethylphosphonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenosine 5'-chloromethylphosphonate has 4 hydrogen bond donor(s) and 10 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 Adenosine 5'-chloromethylphosphonate?
The CAS number of Adenosine 5'-chloromethylphosphonate is 6637-32-7.
What is the molecular formula of Adenosine 5'-chloromethylphosphonate?
The molecular formula of Adenosine 5'-chloromethylphosphonate is C11H15ClN5O6P.
What is the molecular weight of Adenosine 5'-chloromethylphosphonate?
The molecular weight of Adenosine 5'-chloromethylphosphonate is 379.04 g/mol.
Where can I buy Adenosine 5'-chloromethylphosphonate?
You can request a quote for Adenosine 5'-chloromethylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenosine 5'-chloromethylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Adenosine 5'-chloromethylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.