2-((((3,5-Dichlorophenyl)amino)carbonyl)oxy)-2-methyl-3-butenoic acid
TL;DR: 2-((((3,5-Dichlorophenyl)amino)carbonyl)oxy)-2-methyl-3-butenoic acid (CAS 119209-27-7) is a chemical compound with molecular formula C12H11Cl2NO4 and molecular weight 303.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-dichlorophenyl)carbamoyloxy]-2-methylbut-3-enoic acid
Also Known As: 2-DCO-2-Me-butenoate, Vinclozolin metabolite, 2-(((3,5-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid, SID:57309605, 2-[(3,5-dichlorophenyl)carbamoyloxy]-2-methylbut-3-enoic acid
| Molecular Formula | C12H11Cl2NO4 |
|---|---|
| Molecular Weight | 303.01 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.0065 |
| Heavy Atoms | 19 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 119209-27-7 |
|---|---|
| SMILES | CC(C=C)(C(=O)O)OC(=O)NC1=CC(=CC(=C1)Cl)Cl |
| InChIKey | KTXGWKXVQGCPAR-UHFFFAOYSA-N |
Product Overview
2-((((3,5-Dichlorophenyl)amino)carbonyl)oxy)-2-methyl-3-butenoic acid (CAS 119209-27-7), with molecular formula C12H11Cl2NO4 and molecular weight 303.01 g/mol. IUPAC: 2-[(3,5-dichlorophenyl)carbamoyloxy]-2-methylbut-3-enoic acid.
Chemical Property Profile of 2-((((3,5-Dichlorophenyl)amino)carbonyl)oxy)-2-methyl-3-butenoic acid
Property Insights of 2-((((3,5-Dichlorophenyl)amino)carbonyl)oxy)-2-methyl-3-butenoic acid
The XLogP value of 3.4 indicates that 2-((((3,5-Dichlorophenyl)amino)carbonyl)oxy)-2-methyl-3-butenoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((((3,5-Dichlorophenyl)amino)carbonyl)oxy)-2-methyl-3-butenoic acid. Following Lipinski's Rule of Five, 2-((((3,5-Dichlorophenyl)amino)carbonyl)oxy)-2-methyl-3-butenoic acid has 2 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 2-((((3,5-Dichlorophenyl)amino)carbonyl)oxy)-2-methyl-3-butenoic acid?
The CAS number of 2-((((3,5-Dichlorophenyl)amino)carbonyl)oxy)-2-methyl-3-butenoic acid is 119209-27-7.
What is the molecular formula of 2-((((3,5-Dichlorophenyl)amino)carbonyl)oxy)-2-methyl-3-butenoic acid?
The molecular formula of 2-((((3,5-Dichlorophenyl)amino)carbonyl)oxy)-2-methyl-3-butenoic acid is C12H11Cl2NO4.
What is the molecular weight of 2-((((3,5-Dichlorophenyl)amino)carbonyl)oxy)-2-methyl-3-butenoic acid?
The molecular weight of 2-((((3,5-Dichlorophenyl)amino)carbonyl)oxy)-2-methyl-3-butenoic acid is 303.01 g/mol.
Where can I buy 2-((((3,5-Dichlorophenyl)amino)carbonyl)oxy)-2-methyl-3-butenoic acid?
You can request a quote for 2-((((3,5-Dichlorophenyl)amino)carbonyl)oxy)-2-methyl-3-butenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((((3,5-Dichlorophenyl)amino)carbonyl)oxy)-2-methyl-3-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((((3,5-Dichlorophenyl)amino)carbonyl)oxy)-2-methyl-3-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.