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Benzoic acid, 4-[(phenylthioxomethyl)amino]-, ethyl ester
TL;DR: Benzoic acid, 4-[(phenylthioxomethyl)amino]-, ethyl ester (CAS 63208-63-9) is a chemical compound with molecular formula C16H15NO2S and molecular weight 285.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(benzenecarbonothioylamino)benzoate
Also Known As: Ethyl 4-(benzenecarbonothioylamino)benzoate, ETHYL 4-BENZENETHIOAMIDOBENZOATE, Ethyl 4-[(benzenecarbothioyl)amino]benzoate, 4-(Thiobenzoylamino)benzoic acid ethyl ester, J2.884.117E
| Molecular Formula | C16H15NO2S |
|---|---|
| Molecular Weight | 285.08 g/mol |
| LogP | 3.6509 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.08234 |
| Heavy Atoms | 20 |
| Complexity | 593.6337 |
Chemical Identifiers
| CAS Number | 63208-63-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)C2=CC=CC=C2 |
Product Overview
Benzoic acid, 4-[(phenylthioxomethyl)amino]-, ethyl ester (CAS 63208-63-9), with molecular formula C16H15NO2S and molecular weight 285.08 g/mol. IUPAC: ethyl 4-(benzenecarbonothioylamino)benzoate.
Chemical Property Profile of Benzoic acid, 4-[(phenylthioxomethyl)amino]-, ethyl ester
Property Insights of Benzoic acid, 4-[(phenylthioxomethyl)amino]-, ethyl ester
The XLogP value of 3.6509 indicates that Benzoic acid, 4-[(phenylthioxomethyl)amino]-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, Benzoic acid, 4-[(phenylthioxomethyl)amino]-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-[(phenylthioxomethyl)amino]-, ethyl ester has 1 hydrogen bond donor(s) and 3 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 Benzoic acid, 4-[(phenylthioxomethyl)amino]-, ethyl ester?
The CAS number of Benzoic acid, 4-[(phenylthioxomethyl)amino]-, ethyl ester is 63208-63-9.
What is the molecular formula of Benzoic acid, 4-[(phenylthioxomethyl)amino]-, ethyl ester?
The molecular formula of Benzoic acid, 4-[(phenylthioxomethyl)amino]-, ethyl ester is C16H15NO2S.
What is the molecular weight of Benzoic acid, 4-[(phenylthioxomethyl)amino]-, ethyl ester?
The molecular weight of Benzoic acid, 4-[(phenylthioxomethyl)amino]-, ethyl ester is 285.08 g/mol.
Where can I buy Benzoic acid, 4-[(phenylthioxomethyl)amino]-, ethyl ester?
You can request a quote for Benzoic acid, 4-[(phenylthioxomethyl)amino]-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-[(phenylthioxomethyl)amino]-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-[(phenylthioxomethyl)amino]-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.