Methyl 2-methylpropyl hydrogen phosphate
TL;DR: Methyl 2-methylpropyl hydrogen phosphate (CAS 6965-20-4) is a chemical compound with molecular formula C5H13O4P and molecular weight 168.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methylpropyl hydrogen phosphate
Also Known As: methoxy- phosphinicacid, methyl 2-methylpropyl hydrogen phosphate, isobutyl methyl hydrogen phosphate, Phosphoric acid,monomethyl mono(2-methylpropyl) ester
| Molecular Formula | C5H13O4P |
|---|---|
| Molecular Weight | 168.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.05515 |
| Heavy Atoms | 10 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 6965-20-4 |
|---|---|
| SMILES | CC(C)COP(=O)(O)OC |
| InChIKey | SSKINJPYGRZDGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-methylpropyl hydrogen phosphate (CAS 6965-20-4), with molecular formula C5H13O4P and molecular weight 168.06 g/mol. IUPAC: methyl 2-methylpropyl hydrogen phosphate.
Chemical Property Profile of Methyl 2-methylpropyl hydrogen phosphate
Property Insights of Methyl 2-methylpropyl hydrogen phosphate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-methylpropyl hydrogen phosphate. With a topological polar surface area (TPSA) of 55.8 Ų, Methyl 2-methylpropyl hydrogen phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-methylpropyl hydrogen phosphate has 1 hydrogen bond donor(s) and 4 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-methylpropyl hydrogen phosphate?
The CAS number of Methyl 2-methylpropyl hydrogen phosphate is 6965-20-4.
What is the molecular formula of Methyl 2-methylpropyl hydrogen phosphate?
The molecular formula of Methyl 2-methylpropyl hydrogen phosphate is C5H13O4P.
What is the molecular weight of Methyl 2-methylpropyl hydrogen phosphate?
The molecular weight of Methyl 2-methylpropyl hydrogen phosphate is 168.06 g/mol.
Where can I buy Methyl 2-methylpropyl hydrogen phosphate?
You can request a quote for Methyl 2-methylpropyl hydrogen phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-methylpropyl hydrogen phosphate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-methylpropyl hydrogen phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.