Phosphoric acid, dimethyl 5,5,5-trichloropentyl ester
TL;DR: Phosphoric acid, dimethyl 5,5,5-trichloropentyl ester (CAS 39199-12-7) is a chemical compound with molecular formula C7H14Cl3O4P and molecular weight 297.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5,5,5-trichloropentyl phosphate
Also Known As: Dimethyl 5,5,5-trichloropentyl phosphate, Phosphoric acid, dimethyl 5,5,5-trichloropentyl ester, Trichlor-n-pentylphosphonsaeuredimethylester, dimethyl (5,5,5-trichloropentyl) phosphate, Phosphoric acid dimethyl 5,5,5-trichloropentyl ester
| Molecular Formula | C7H14Cl3O4P |
|---|---|
| Molecular Weight | 297.97 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 297.96954 |
| Heavy Atoms | 15 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 39199-12-7 |
|---|---|
| SMILES | COP(=O)(OC)OCCCCC(Cl)(Cl)Cl |
| InChIKey | XPBKIUREAKCOBM-UHFFFAOYSA-N |
Product Overview
Phosphoric acid, dimethyl 5,5,5-trichloropentyl ester (CAS 39199-12-7), with molecular formula C7H14Cl3O4P and molecular weight 297.97 g/mol. IUPAC: dimethyl 5,5,5-trichloropentyl phosphate.
Chemical Property Profile of Phosphoric acid, dimethyl 5,5,5-trichloropentyl ester
Property Insights of Phosphoric acid, dimethyl 5,5,5-trichloropentyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphoric acid, dimethyl 5,5,5-trichloropentyl ester. With a topological polar surface area (TPSA) of 44.8 Ų, Phosphoric acid, dimethyl 5,5,5-trichloropentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoric acid, dimethyl 5,5,5-trichloropentyl ester has 0 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 Phosphoric acid, dimethyl 5,5,5-trichloropentyl ester?
The CAS number of Phosphoric acid, dimethyl 5,5,5-trichloropentyl ester is 39199-12-7.
What is the molecular formula of Phosphoric acid, dimethyl 5,5,5-trichloropentyl ester?
The molecular formula of Phosphoric acid, dimethyl 5,5,5-trichloropentyl ester is C7H14Cl3O4P.
What is the molecular weight of Phosphoric acid, dimethyl 5,5,5-trichloropentyl ester?
The molecular weight of Phosphoric acid, dimethyl 5,5,5-trichloropentyl ester is 297.97 g/mol.
Where can I buy Phosphoric acid, dimethyl 5,5,5-trichloropentyl ester?
You can request a quote for Phosphoric acid, dimethyl 5,5,5-trichloropentyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoric acid, dimethyl 5,5,5-trichloropentyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, dimethyl 5,5,5-trichloropentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.