2,5-Dichlorophenyl methyl phenylphosphonate
TL;DR: 2,5-Dichlorophenyl methyl phenylphosphonate (CAS 97232-57-0) is a chemical compound with molecular formula C13H11Cl2O3P and molecular weight 315.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene
Also Known As: 2,5-Dichlorophenyl methyl phenylphosphonate, (S)-Phenylphosphonic acid 2,5-dichlorophenyl methyl ester, (R)-Phenylphosphonic acid 2,5-dichlorophenyl methyl ester, (+-)-Phenylphosphonic acid 2,5-dichlorophenyl methyl ester, Phosphonic acid, phenyl-, 2,5-dichlorophenyl methyl ester
| Molecular Formula | C13H11Cl2O3P |
|---|---|
| Molecular Weight | 315.98 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.9823 |
| Heavy Atoms | 19 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 97232-57-0 |
|---|---|
| SMILES | COP(=O)(C1=CC=CC=C1)OC2=C(C=CC(=C2)Cl)Cl |
| InChIKey | CTFGBIJKVBZCHE-UHFFFAOYSA-N |
Product Overview
2,5-Dichlorophenyl methyl phenylphosphonate (CAS 97232-57-0), with molecular formula C13H11Cl2O3P and molecular weight 315.98 g/mol. IUPAC: 1,4-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene.
Chemical Property Profile of 2,5-Dichlorophenyl methyl phenylphosphonate
Property Insights of 2,5-Dichlorophenyl methyl phenylphosphonate
The XLogP value of 3.9 indicates that 2,5-Dichlorophenyl methyl phenylphosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 2,5-Dichlorophenyl methyl phenylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dichlorophenyl methyl phenylphosphonate 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 2,5-Dichlorophenyl methyl phenylphosphonate?
The CAS number of 2,5-Dichlorophenyl methyl phenylphosphonate is 97232-57-0.
What is the molecular formula of 2,5-Dichlorophenyl methyl phenylphosphonate?
The molecular formula of 2,5-Dichlorophenyl methyl phenylphosphonate is C13H11Cl2O3P.
What is the molecular weight of 2,5-Dichlorophenyl methyl phenylphosphonate?
The molecular weight of 2,5-Dichlorophenyl methyl phenylphosphonate is 315.98 g/mol.
Where can I buy 2,5-Dichlorophenyl methyl phenylphosphonate?
You can request a quote for 2,5-Dichlorophenyl methyl phenylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dichlorophenyl methyl phenylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dichlorophenyl methyl phenylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.