三羟甲基丙烷磷酸酯
TL;DR: 三羟甲基丙烷磷酸酯 (CAS 1005-93-2) is a chemical compound with molecular formula C6H11O4P and molecular weight 178.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三羟甲基丙烷磷酸酯
4-ethyl-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octane 1-oxide
Also Known As: Ethyl bicyclic phosphate, TRIMETHYLOLPROPANE PHOSPHATE, Etbicuphat, TMPP-oxide, TMPP (phosphate)
| Molecular Formula | C6H11O4P |
|---|---|
| Molecular Weight | 178.04 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.03949 |
| Heavy Atoms | 11 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 1005-93-2 |
|---|---|
| SMILES | CCC12COP(=O)(OC1)OC2 |
| InChIKey | BYEFHDZWRALTEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三羟甲基丙烷磷酸酯 (CAS 1005-93-2), with molecular formula C6H11O4P and molecular weight 178.04 g/mol. IUPAC: 4-ethyl-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octane 1-oxide.
Chemical Property Profile of 三羟甲基丙烷磷酸酯
Property Insights of 三羟甲基丙烷磷酸酯
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三羟甲基丙烷磷酸酯. With a topological polar surface area (TPSA) of 44.8 Ų, 三羟甲基丙烷磷酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三羟甲基丙烷磷酸酯 has 0 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 三羟甲基丙烷磷酸酯?
The CAS number of 三羟甲基丙烷磷酸酯 is 1005-93-2.
What is the molecular formula of 三羟甲基丙烷磷酸酯?
The molecular formula of 三羟甲基丙烷磷酸酯 is C6H11O4P.
What is the molecular weight of 三羟甲基丙烷磷酸酯?
The molecular weight of 三羟甲基丙烷磷酸酯 is 178.04 g/mol.
Where can I buy 三羟甲基丙烷磷酸酯?
You can request a quote for 三羟甲基丙烷磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三羟甲基丙烷磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 三羟甲基丙烷磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.