Phosphonic acid, methyl-, 4-aminophenyl 1,2,2-trimethylpropyl ester
TL;DR: Phosphonic acid, methyl-, 4-aminophenyl 1,2,2-trimethylpropyl ester (CAS 52134-57-3) is a chemical compound with molecular formula C13H22NO3P and molecular weight 271.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]oxyaniline
Also Known As: p-aminophenyl pinacolyl methyl-phosphonate, O-p-Aminophenyl O'-pinacolyl methylphosphonate, 4-aminophenyl 3,3-dimethylbutan-2-yl methylphosphonate, 4-Aminophenyl 1,2,2-trimethylpropyl methyl phosphonate, Phosphonic acid, methyl-, 4-aminophenyl 1,2,2-trimethylpropyl ester
| Molecular Formula | C13H22NO3P |
|---|---|
| Molecular Weight | 271.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.13373 |
| Heavy Atoms | 18 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 52134-57-3 |
|---|---|
| SMILES | CC(C(C)(C)C)OP(=O)(C)OC1=CC=C(C=C1)N |
| InChIKey | QYKVBHFKNHUXPY-UHFFFAOYSA-N |
Product Overview
Phosphonic acid, methyl-, 4-aminophenyl 1,2,2-trimethylpropyl ester (CAS 52134-57-3), with molecular formula C13H22NO3P and molecular weight 271.13 g/mol. IUPAC: 4-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]oxyaniline.
Chemical Property Profile of Phosphonic acid, methyl-, 4-aminophenyl 1,2,2-trimethylpropyl ester
Property Insights of Phosphonic acid, methyl-, 4-aminophenyl 1,2,2-trimethylpropyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, methyl-, 4-aminophenyl 1,2,2-trimethylpropyl ester. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonic acid, methyl-, 4-aminophenyl 1,2,2-trimethylpropyl ester. Following Lipinski's Rule of Five, Phosphonic acid, methyl-, 4-aminophenyl 1,2,2-trimethylpropyl ester 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 Phosphonic acid, methyl-, 4-aminophenyl 1,2,2-trimethylpropyl ester?
The CAS number of Phosphonic acid, methyl-, 4-aminophenyl 1,2,2-trimethylpropyl ester is 52134-57-3.
What is the molecular formula of Phosphonic acid, methyl-, 4-aminophenyl 1,2,2-trimethylpropyl ester?
The molecular formula of Phosphonic acid, methyl-, 4-aminophenyl 1,2,2-trimethylpropyl ester is C13H22NO3P.
What is the molecular weight of Phosphonic acid, methyl-, 4-aminophenyl 1,2,2-trimethylpropyl ester?
The molecular weight of Phosphonic acid, methyl-, 4-aminophenyl 1,2,2-trimethylpropyl ester is 271.13 g/mol.
Where can I buy Phosphonic acid, methyl-, 4-aminophenyl 1,2,2-trimethylpropyl ester?
You can request a quote for Phosphonic acid, methyl-, 4-aminophenyl 1,2,2-trimethylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonic acid, methyl-, 4-aminophenyl 1,2,2-trimethylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, methyl-, 4-aminophenyl 1,2,2-trimethylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.