Phosphonic acid, (1-methylethyl)-, bis(2,3,5-trimethylphenyl) ester
TL;DR: Phosphonic acid, (1-methylethyl)-, bis(2,3,5-trimethylphenyl) ester (CAS 123872-82-2) is a chemical compound with molecular formula C21H29O3P and molecular weight 360.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,5-trimethyl-3-[propan-2-yl-(2,3,5-trimethylphenoxy)phosphoryl]oxybenzene
Also Known As: Phosphonic acid, (1-methylethyl)-, bis(2,3,5-trimethylphenyl) ester, Bis(2,3,5-trimethylphenyl) propan-2-ylphosphonate, 1,2,5-trimethyl-3-[propan-2-yl-(2,3,5-trimethylphenoxy)phosphoryl]oxy-benzene, 1,2,5-trimethyl-3-[propan-2-yl-(2,3,5-trimethylphenoxy)phosphoryl]oxybenzene
| Molecular Formula | C21H29O3P |
|---|---|
| Molecular Weight | 360.19 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.18542 |
| Heavy Atoms | 25 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 123872-82-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)OP(=O)(C(C)C)OC2=CC(=CC(=C2C)C)C)C)C |
| InChIKey | IKDZWXXQZQXJHB-UHFFFAOYSA-N |
Product Overview
Phosphonic acid, (1-methylethyl)-, bis(2,3,5-trimethylphenyl) ester (CAS 123872-82-2), with molecular formula C21H29O3P and molecular weight 360.19 g/mol. IUPAC: 1,2,5-trimethyl-3-[propan-2-yl-(2,3,5-trimethylphenoxy)phosphoryl]oxybenzene.
Chemical Property Profile of Phosphonic acid, (1-methylethyl)-, bis(2,3,5-trimethylphenyl) ester
Property Insights of Phosphonic acid, (1-methylethyl)-, bis(2,3,5-trimethylphenyl) ester
The XLogP value of 6.1 indicates that Phosphonic acid, (1-methylethyl)-, bis(2,3,5-trimethylphenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Phosphonic acid, (1-methylethyl)-, bis(2,3,5-trimethylphenyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, (1-methylethyl)-, bis(2,3,5-trimethylphenyl) ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphonic acid, (1-methylethyl)-, bis(2,3,5-trimethylphenyl) ester?
The CAS number of Phosphonic acid, (1-methylethyl)-, bis(2,3,5-trimethylphenyl) ester is 123872-82-2.
What is the molecular formula of Phosphonic acid, (1-methylethyl)-, bis(2,3,5-trimethylphenyl) ester?
The molecular formula of Phosphonic acid, (1-methylethyl)-, bis(2,3,5-trimethylphenyl) ester is C21H29O3P.
What is the molecular weight of Phosphonic acid, (1-methylethyl)-, bis(2,3,5-trimethylphenyl) ester?
The molecular weight of Phosphonic acid, (1-methylethyl)-, bis(2,3,5-trimethylphenyl) ester is 360.19 g/mol.
Where can I buy Phosphonic acid, (1-methylethyl)-, bis(2,3,5-trimethylphenyl) ester?
You can request a quote for Phosphonic acid, (1-methylethyl)-, bis(2,3,5-trimethylphenyl) 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, (1-methylethyl)-, bis(2,3,5-trimethylphenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, (1-methylethyl)-, bis(2,3,5-trimethylphenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.