Methyl 2-chloro-3-(dimethoxyphosphoryl)-3-hydroxybutanoate
TL;DR: Methyl 2-chloro-3-(dimethoxyphosphoryl)-3-hydroxybutanoate (CAS 2096-66-4) is a chemical compound with molecular formula C7H14ClO6P and molecular weight 260.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chloro-3-dimethoxyphosphoryl-3-hydroxybutanoate
Also Known As: Shell SD-6093, SD 6093, ENT 25,693, methyl 2-chloro-3-dimethoxyphosphoryl-3-hydroxybutanoate, METHYL 2-CHLORO-3-(DIMETHOXYPHOSPHORYL)-3-HYDROXYBUTANOATE
| Molecular Formula | C7H14ClO6P |
|---|---|
| Molecular Weight | 260.02 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 260.02167 |
| Heavy Atoms | 15 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 2096-66-4 |
|---|---|
| SMILES | CC(C(C(=O)OC)Cl)(O)P(=O)(OC)OC |
| InChIKey | VMFMWADWPYXFMW-UHFFFAOYSA-N |
Product Overview
Methyl 2-chloro-3-(dimethoxyphosphoryl)-3-hydroxybutanoate (CAS 2096-66-4), with molecular formula C7H14ClO6P and molecular weight 260.02 g/mol. IUPAC: methyl 2-chloro-3-dimethoxyphosphoryl-3-hydroxybutanoate.
Chemical Property Profile of Methyl 2-chloro-3-(dimethoxyphosphoryl)-3-hydroxybutanoate
Property Insights of Methyl 2-chloro-3-(dimethoxyphosphoryl)-3-hydroxybutanoate
The XLogP value of -0.3 indicates that Methyl 2-chloro-3-(dimethoxyphosphoryl)-3-hydroxybutanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-chloro-3-(dimethoxyphosphoryl)-3-hydroxybutanoate. Following Lipinski's Rule of Five, Methyl 2-chloro-3-(dimethoxyphosphoryl)-3-hydroxybutanoate has 1 hydrogen bond donor(s) and 6 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 Methyl 2-chloro-3-(dimethoxyphosphoryl)-3-hydroxybutanoate?
The CAS number of Methyl 2-chloro-3-(dimethoxyphosphoryl)-3-hydroxybutanoate is 2096-66-4.
What is the molecular formula of Methyl 2-chloro-3-(dimethoxyphosphoryl)-3-hydroxybutanoate?
The molecular formula of Methyl 2-chloro-3-(dimethoxyphosphoryl)-3-hydroxybutanoate is C7H14ClO6P.
What is the molecular weight of Methyl 2-chloro-3-(dimethoxyphosphoryl)-3-hydroxybutanoate?
The molecular weight of Methyl 2-chloro-3-(dimethoxyphosphoryl)-3-hydroxybutanoate is 260.02 g/mol.
Where can I buy Methyl 2-chloro-3-(dimethoxyphosphoryl)-3-hydroxybutanoate?
You can request a quote for Methyl 2-chloro-3-(dimethoxyphosphoryl)-3-hydroxybutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-chloro-3-(dimethoxyphosphoryl)-3-hydroxybutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-chloro-3-(dimethoxyphosphoryl)-3-hydroxybutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.