Methylethyl 2-chloro-5-(((cyclopropylmethoxy)thioxomethyl)amino)benzoate
TL;DR: Methylethyl 2-chloro-5-(((cyclopropylmethoxy)thioxomethyl)amino)benzoate (CAS 165549-72-4) is a chemical compound with molecular formula C15H18ClNO3S and molecular weight 327.06958 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl 2-chloro-5-(cyclopropylmethoxycarbothioylamino)benzoate
Also Known As: Methylethyl 2-chloro-5-(((cyclopropylmethoxy)thioxomethyl)amino)benzoate, Methylethyl 2-chloro-5-{[(cyclopropylmethoxy)thioxomethyl]amino}benzoate, isopropyl 2-chloro-5-(cyclopropylmethoxycarbothioylamino)benzoate, propan-2-yl 2-chloro-5-(cyclopropylmethoxycarbothioylamino)benzoate, Propan-2-yl 2-chloro-5-{[(cyclopropylmethoxy)carbonothioyl]amino}benzoate
Technical Specifications
| Molecular Formula | C15H18ClNO3S |
| Molecular Weight | 327.06958 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 327.06958 Da |
| Heavy Atoms | 21 |
| Complexity | 387.0 |
| SMILES | CC(C)OC(=O)C1=C(C=CC(=C1)NC(=S)OCC2CC2)Cl |
| InChIKey | GDFCCUORXHCVCT-UHFFFAOYSA-N |
Chemical Property Profile of Methylethyl 2-chloro-5-(((cyclopropylmethoxy)thioxomethyl)amino)benzoate
Property Insights of Methylethyl 2-chloro-5-(((cyclopropylmethoxy)thioxomethyl)amino)benzoate
The XLogP value of 4.1 indicates that Methylethyl 2-chloro-5-(((cyclopropylmethoxy)thioxomethyl)amino)benzoate 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 Methylethyl 2-chloro-5-(((cyclopropylmethoxy)thioxomethyl)amino)benzoate. Following Lipinski's Rule of Five, Methylethyl 2-chloro-5-(((cyclopropylmethoxy)thioxomethyl)amino)benzoate 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 Methylethyl 2-chloro-5-(((cyclopropylmethoxy)thioxomethyl)amino)benzoate?
The CAS number of Methylethyl 2-chloro-5-(((cyclopropylmethoxy)thioxomethyl)amino)benzoate is 165549-72-4.
What is the molecular formula of Methylethyl 2-chloro-5-(((cyclopropylmethoxy)thioxomethyl)amino)benzoate?
The molecular formula of Methylethyl 2-chloro-5-(((cyclopropylmethoxy)thioxomethyl)amino)benzoate is C15H18ClNO3S.
What is the molecular weight of Methylethyl 2-chloro-5-(((cyclopropylmethoxy)thioxomethyl)amino)benzoate?
The molecular weight of Methylethyl 2-chloro-5-(((cyclopropylmethoxy)thioxomethyl)amino)benzoate is 327.06958 g/mol.
Where can I buy Methylethyl 2-chloro-5-(((cyclopropylmethoxy)thioxomethyl)amino)benzoate?
You can request a quote for Methylethyl 2-chloro-5-(((cyclopropylmethoxy)thioxomethyl)amino)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methylethyl 2-chloro-5-(((cyclopropylmethoxy)thioxomethyl)amino)benzoate?
Yes, CoreyChem provides custom synthesis services for Methylethyl 2-chloro-5-(((cyclopropylmethoxy)thioxomethyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.