Phosphoric acid, 4-chloro-5-phenyl-3-isoxazolyl dimethyl ester
TL;DR: Phosphoric acid, 4-chloro-5-phenyl-3-isoxazolyl dimethyl ester (CAS 37328-90-8) is a chemical compound with molecular formula C11H11ClNO5P and molecular weight 303.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-5-phenyl-1,2-oxazol-3-yl) dimethyl phosphate
Also Known As: 4-Chloro-5-phenyl-3-isoxazolyl dimethyl phosphate, Phosphoric acid, 4-chloro-5-phenyl-3-isoxazolyl dimethyl ester, 4-chloro-5-phenyl-1,2-oxazol-3-yl dimethyl phosphate, (4-chloro-5-phenyl-1,2-oxazol-3-yl) dimethyl phosphate, Phosphoricacid,4-chloro-5-phenyl-3-isoxazolyldimethylester
| Molecular Formula | C11H11ClNO5P |
|---|---|
| Molecular Weight | 303.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 70.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.00635 |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 37328-90-8 |
|---|---|
| SMILES | COP(=O)(OC)OC1=NOC(=C1Cl)C2=CC=CC=C2 |
| InChIKey | LKDDHEDTVCDLTG-UHFFFAOYSA-N |
Product Overview
Phosphoric acid, 4-chloro-5-phenyl-3-isoxazolyl dimethyl ester (CAS 37328-90-8), with molecular formula C11H11ClNO5P and molecular weight 303.01 g/mol. IUPAC: (4-chloro-5-phenyl-1,2-oxazol-3-yl) dimethyl phosphate.
Chemical Property Profile of Phosphoric acid, 4-chloro-5-phenyl-3-isoxazolyl dimethyl ester
Property Insights of Phosphoric acid, 4-chloro-5-phenyl-3-isoxazolyl dimethyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphoric acid, 4-chloro-5-phenyl-3-isoxazolyl dimethyl ester. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoric acid, 4-chloro-5-phenyl-3-isoxazolyl dimethyl ester. Following Lipinski's Rule of Five, Phosphoric acid, 4-chloro-5-phenyl-3-isoxazolyl dimethyl ester has 0 hydrogen bond donor(s) and 6 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, 4-chloro-5-phenyl-3-isoxazolyl dimethyl ester?
The CAS number of Phosphoric acid, 4-chloro-5-phenyl-3-isoxazolyl dimethyl ester is 37328-90-8.
What is the molecular formula of Phosphoric acid, 4-chloro-5-phenyl-3-isoxazolyl dimethyl ester?
The molecular formula of Phosphoric acid, 4-chloro-5-phenyl-3-isoxazolyl dimethyl ester is C11H11ClNO5P.
What is the molecular weight of Phosphoric acid, 4-chloro-5-phenyl-3-isoxazolyl dimethyl ester?
The molecular weight of Phosphoric acid, 4-chloro-5-phenyl-3-isoxazolyl dimethyl ester is 303.01 g/mol.
Where can I buy Phosphoric acid, 4-chloro-5-phenyl-3-isoxazolyl dimethyl ester?
You can request a quote for Phosphoric acid, 4-chloro-5-phenyl-3-isoxazolyl dimethyl 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, 4-chloro-5-phenyl-3-isoxazolyl dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, 4-chloro-5-phenyl-3-isoxazolyl dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.