Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, butyl ester
TL;DR: Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, butyl ester (CAS 135813-29-5) is a chemical compound with molecular formula C15H20ClNO3S and molecular weight 329.08524 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl 2-chloro-5-(propan-2-yloxycarbothioylamino)benzoate
Also Known As: UC-38 deriv., Acyclic oxathiin Carboxanilide deriv., Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, butyl ester, butyl 2-chloro-5-(propan-2-yloxycarbothioylamino)benzoate, butyl 2-chloro-5-(isopropoxycarbothioylamino)benzoate
Technical Specifications
| Molecular Formula | C15H20ClNO3S |
| Molecular Weight | 329.08524 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 329.08524 Da |
| Heavy Atoms | 21 |
| Complexity | 352.0 |
| SMILES | CCCCOC(=O)C1=C(C=CC(=C1)NC(=S)OC(C)C)Cl |
| InChIKey | HXSNGWFHHFWXLH-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, butyl ester
Property Insights of Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, butyl ester
The XLogP value of 4.6 indicates that Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, butyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, butyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, butyl ester?
The CAS number of Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, butyl ester is 135813-29-5.
What is the molecular formula of Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, butyl ester?
The molecular formula of Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, butyl ester is C15H20ClNO3S.
What is the molecular weight of Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, butyl ester?
The molecular weight of Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, butyl ester is 329.08524 g/mol.
Where can I buy Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, butyl ester?
You can request a quote for Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, butyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, butyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.