Dimethyl isopropylphosphonate
TL;DR: Dimethyl isopropylphosphonate (CAS 54552-77-1) is a chemical compound with molecular formula C5H13O3P and molecular weight 152.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-dimethoxyphosphorylpropane
Also Known As: Dimethyl isopropylphosphonate, 2-dimethoxyphosphorylpropane, Dimethyl isopropylphosphonate #, Dimethyl propan-2-ylphosphonate, dimethyl (propan-2-yl)phosphonate
| Molecular Formula | C5H13O3P |
|---|---|
| Molecular Weight | 152.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.06023 |
| Heavy Atoms | 9 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 54552-77-1 |
|---|---|
| SMILES | CC(C)P(=O)(OC)OC |
| InChIKey | WETUVMMRZWQXIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl isopropylphosphonate (CAS 54552-77-1), with molecular formula C5H13O3P and molecular weight 152.06 g/mol. IUPAC: 2-dimethoxyphosphorylpropane.
Chemical Property Profile of Dimethyl isopropylphosphonate
Property Insights of Dimethyl isopropylphosphonate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl isopropylphosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, Dimethyl isopropylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl isopropylphosphonate has 0 hydrogen bond donor(s) and 3 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 Dimethyl isopropylphosphonate?
The CAS number of Dimethyl isopropylphosphonate is 54552-77-1.
What is the molecular formula of Dimethyl isopropylphosphonate?
The molecular formula of Dimethyl isopropylphosphonate is C5H13O3P.
What is the molecular weight of Dimethyl isopropylphosphonate?
The molecular weight of Dimethyl isopropylphosphonate is 152.06 g/mol.
Where can I buy Dimethyl isopropylphosphonate?
You can request a quote for Dimethyl isopropylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl isopropylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl isopropylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.