Bis(2,6-dimethylphenyl) Chlorophosphate
TL;DR: Bis(2,6-dimethylphenyl) Chlorophosphate (CAS 81639-99-8) is a chemical compound with molecular formula C16H18ClO3P and molecular weight 324.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[chloro-(2,6-dimethylphenoxy)phosphoryl]oxy-1,3-dimethylbenzene
Also Known As: Bis(2,6-dimethylphenyl) Chlorophosphate, bis(2,6-dimethylphenyl) phosphorochloridate, Chlorophosphoric Acid Bis(2,6-dimethylphenyl) Ester, di(2,6-xylyl)phosphorochloridate, CHLOROPHOSPHORICACIDBIS ESTER
| Molecular Formula | C16H18ClO3P |
|---|---|
| Molecular Weight | 324.07 g/mol |
| LogP | 5.72498 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.0682 |
| Heavy Atoms | 21 |
| Complexity | 614.66345 |
Chemical Identifiers
| CAS Number | 81639-99-8 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OP(=O)(OC2=C(C=CC=C2C)C)Cl |
Product Overview
Bis(2,6-dimethylphenyl) Chlorophosphate (CAS 81639-99-8), with molecular formula C16H18ClO3P and molecular weight 324.07 g/mol. IUPAC: 2-[chloro-(2,6-dimethylphenoxy)phosphoryl]oxy-1,3-dimethylbenzene.
Chemical Property Profile of Bis(2,6-dimethylphenyl) Chlorophosphate
Property Insights of Bis(2,6-dimethylphenyl) Chlorophosphate
The XLogP value of 5.72498 indicates that Bis(2,6-dimethylphenyl) Chlorophosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Bis(2,6-dimethylphenyl) Chlorophosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(2,6-dimethylphenyl) Chlorophosphate 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 Bis(2,6-dimethylphenyl) Chlorophosphate?
The CAS number of Bis(2,6-dimethylphenyl) Chlorophosphate is 81639-99-8.
What is the molecular formula of Bis(2,6-dimethylphenyl) Chlorophosphate?
The molecular formula of Bis(2,6-dimethylphenyl) Chlorophosphate is C16H18ClO3P.
What is the molecular weight of Bis(2,6-dimethylphenyl) Chlorophosphate?
The molecular weight of Bis(2,6-dimethylphenyl) Chlorophosphate is 324.07 g/mol.
Where can I buy Bis(2,6-dimethylphenyl) Chlorophosphate?
You can request a quote for Bis(2,6-dimethylphenyl) Chlorophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2,6-dimethylphenyl) Chlorophosphate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2,6-dimethylphenyl) Chlorophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.