3-(4-Chlorophenoxy)-2-hydroxypropyl 2-methyl-2-phenoxypropanoate
TL;DR: 3-(4-Chlorophenoxy)-2-hydroxypropyl 2-methyl-2-phenoxypropanoate (CAS 52207-48-4) is a chemical compound with molecular formula C19H21ClO5 and molecular weight 364.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-chlorophenoxy)-2-hydroxypropyl] 2-methyl-2-phenoxypropanoate
Also Known As: Thiosultap disodium, 3-(4-Chlorophenoxy)-2-hydroxypropyl 2-methyl-2-phenoxypropanoate, Propanoic acid, 2-methyl-2-phenoxy-, 3-(4-chlorophenoxy)-2-hydroxypropyl ester, [3-(4-chlorophenoxy)-2-hydroxypropyl] 2-methyl-2-phenoxypropanoate, Propanoic acid,2-methyl-2-phenoxy-,3-(4-chlorophenoxy)-2-hydroxypropyl ester
| Molecular Formula | C19H21ClO5 |
|---|---|
| Molecular Weight | 364.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 364.10776 |
| Heavy Atoms | 25 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 52207-48-4 |
|---|---|
| SMILES | CC(C)(C(=O)OCC(COC1=CC=C(C=C1)Cl)O)OC2=CC=CC=C2 |
| InChIKey | KKFZITWOIDJVIN-UHFFFAOYSA-N |
Product Overview
3-(4-Chlorophenoxy)-2-hydroxypropyl 2-methyl-2-phenoxypropanoate (CAS 52207-48-4), with molecular formula C19H21ClO5 and molecular weight 364.11 g/mol. IUPAC: [3-(4-chlorophenoxy)-2-hydroxypropyl] 2-methyl-2-phenoxypropanoate.
Chemical Property Profile of 3-(4-Chlorophenoxy)-2-hydroxypropyl 2-methyl-2-phenoxypropanoate
Property Insights of 3-(4-Chlorophenoxy)-2-hydroxypropyl 2-methyl-2-phenoxypropanoate
The XLogP value of 4.1 indicates that 3-(4-Chlorophenoxy)-2-hydroxypropyl 2-methyl-2-phenoxypropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Chlorophenoxy)-2-hydroxypropyl 2-methyl-2-phenoxypropanoate. Following Lipinski's Rule of Five, 3-(4-Chlorophenoxy)-2-hydroxypropyl 2-methyl-2-phenoxypropanoate has 1 hydrogen bond donor(s) and 5 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 3-(4-Chlorophenoxy)-2-hydroxypropyl 2-methyl-2-phenoxypropanoate?
The CAS number of 3-(4-Chlorophenoxy)-2-hydroxypropyl 2-methyl-2-phenoxypropanoate is 52207-48-4.
What is the molecular formula of 3-(4-Chlorophenoxy)-2-hydroxypropyl 2-methyl-2-phenoxypropanoate?
The molecular formula of 3-(4-Chlorophenoxy)-2-hydroxypropyl 2-methyl-2-phenoxypropanoate is C19H21ClO5.
What is the molecular weight of 3-(4-Chlorophenoxy)-2-hydroxypropyl 2-methyl-2-phenoxypropanoate?
The molecular weight of 3-(4-Chlorophenoxy)-2-hydroxypropyl 2-methyl-2-phenoxypropanoate is 364.11 g/mol.
Where can I buy 3-(4-Chlorophenoxy)-2-hydroxypropyl 2-methyl-2-phenoxypropanoate?
You can request a quote for 3-(4-Chlorophenoxy)-2-hydroxypropyl 2-methyl-2-phenoxypropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenoxy)-2-hydroxypropyl 2-methyl-2-phenoxypropanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenoxy)-2-hydroxypropyl 2-methyl-2-phenoxypropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.