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Ethyl hydrogen [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate
TL;DR: Ethyl hydrogen [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate (CAS 66165-37-5) is a chemical compound with molecular formula C17H29O4P and molecular weight 328.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-ditert-butyl-4-hydroxyphenyl)methyl-ethoxyphosphinic acid
Also Known As: 3,5-Di-tert-butyl-4-hydroxybenzylphosphonic Acid Monoethyl Ester, C17H29O4P.1/2Ca, Ethyl hydrogen ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)phosphonate, Monoethyl 3,5-Di-tert-butyl-4-hydroxybenzylphosphonate, C17-H29-O4-P.1/2Ca
| Molecular Formula | C17H29O4P |
|---|---|
| Molecular Weight | 328.18 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.18036 |
| Heavy Atoms | 22 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 66165-37-5 |
|---|---|
| SMILES | CCOP(=O)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)O |
| InChIKey | WBSRIXCTCFFHEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl hydrogen [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate (CAS 66165-37-5), with molecular formula C17H29O4P and molecular weight 328.18 g/mol. IUPAC: (3,5-ditert-butyl-4-hydroxyphenyl)methyl-ethoxyphosphinic acid.
Chemical Property Profile of Ethyl hydrogen [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate
Property Insights of Ethyl hydrogen [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate
The XLogP value of 3.8 indicates that Ethyl hydrogen [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl hydrogen [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate. Following Lipinski's Rule of Five, Ethyl hydrogen [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate has 2 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 Ethyl hydrogen [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate?
The CAS number of Ethyl hydrogen [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate is 66165-37-5.
What is the molecular formula of Ethyl hydrogen [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate?
The molecular formula of Ethyl hydrogen [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate is C17H29O4P.
What is the molecular weight of Ethyl hydrogen [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate?
The molecular weight of Ethyl hydrogen [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate is 328.18 g/mol.
Where can I buy Ethyl hydrogen [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate?
You can request a quote for Ethyl hydrogen [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl hydrogen [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl hydrogen [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.