2-((2-Methyl-1-oxoallyl)oxy)ethyl hydrogen 3-chloro-2-hydroxypropylphthalate
TL;DR: 2-((2-Methyl-1-oxoallyl)oxy)ethyl hydrogen 3-chloro-2-hydroxypropylphthalate (CAS 54380-33-5) is a chemical compound with molecular formula C17H19ClO7 and molecular weight 370.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-2-hydroxypropyl)-2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid
Also Known As: EINECS 259-130-3, 2-((2-Methyl-1-oxoallyl)oxy)ethyl hydrogen 3-chloro-2-hydroxypropylphthalate, 2-[(2-METHYL-1-OXOALLYL)OXY]ETHYL HYDROGEN 3-CHLORO-2-HYDROXYPROPYLPHTHALATE, 3-(3-chloro-2-hydroxypropyl)-2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid, 1,2-Benzenedicarboxylicacid, 1-(3-chloro-2-hydroxypropyl)2-[2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl] ester
| Molecular Formula | C17H19ClO7 |
|---|---|
| Molecular Weight | 370.08 g/mol |
| LogP | 1.8031 |
| Topological Polar Surface Area | 110.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 370.08194 |
| Heavy Atoms | 25 |
| Complexity | 668.96027 |
Chemical Identifiers
| CAS Number | 54380-33-5 |
|---|---|
| SMILES | CC(=C)C(=O)OCCOC(=O)C1=C(C=CC=C1C(=O)O)CC(CCl)O |
Product Overview
2-((2-Methyl-1-oxoallyl)oxy)ethyl hydrogen 3-chloro-2-hydroxypropylphthalate (CAS 54380-33-5), with molecular formula C17H19ClO7 and molecular weight 370.08 g/mol. IUPAC: 3-(3-chloro-2-hydroxypropyl)-2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid.
Chemical Property Profile of 2-((2-Methyl-1-oxoallyl)oxy)ethyl hydrogen 3-chloro-2-hydroxypropylphthalate
Property Insights of 2-((2-Methyl-1-oxoallyl)oxy)ethyl hydrogen 3-chloro-2-hydroxypropylphthalate
The XLogP value of 1.8031 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2-Methyl-1-oxoallyl)oxy)ethyl hydrogen 3-chloro-2-hydroxypropylphthalate. The TPSA of 110.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-Methyl-1-oxoallyl)oxy)ethyl hydrogen 3-chloro-2-hydroxypropylphthalate. Following Lipinski's Rule of Five, 2-((2-Methyl-1-oxoallyl)oxy)ethyl hydrogen 3-chloro-2-hydroxypropylphthalate has 2 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 2-((2-Methyl-1-oxoallyl)oxy)ethyl hydrogen 3-chloro-2-hydroxypropylphthalate?
The CAS number of 2-((2-Methyl-1-oxoallyl)oxy)ethyl hydrogen 3-chloro-2-hydroxypropylphthalate is 54380-33-5.
What is the molecular formula of 2-((2-Methyl-1-oxoallyl)oxy)ethyl hydrogen 3-chloro-2-hydroxypropylphthalate?
The molecular formula of 2-((2-Methyl-1-oxoallyl)oxy)ethyl hydrogen 3-chloro-2-hydroxypropylphthalate is C17H19ClO7.
What is the molecular weight of 2-((2-Methyl-1-oxoallyl)oxy)ethyl hydrogen 3-chloro-2-hydroxypropylphthalate?
The molecular weight of 2-((2-Methyl-1-oxoallyl)oxy)ethyl hydrogen 3-chloro-2-hydroxypropylphthalate is 370.08 g/mol.
Where can I buy 2-((2-Methyl-1-oxoallyl)oxy)ethyl hydrogen 3-chloro-2-hydroxypropylphthalate?
You can request a quote for 2-((2-Methyl-1-oxoallyl)oxy)ethyl hydrogen 3-chloro-2-hydroxypropylphthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-Methyl-1-oxoallyl)oxy)ethyl hydrogen 3-chloro-2-hydroxypropylphthalate?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Methyl-1-oxoallyl)oxy)ethyl hydrogen 3-chloro-2-hydroxypropylphthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.