2-(2,4-Dimethylphenyl)-2-oxoethyl 2-(2-benzothiazolylthio)acetate
TL;DR: 2-(2,4-Dimethylphenyl)-2-oxoethyl 2-(2-benzothiazolylthio)acetate (CAS 385380-88-1) is a chemical compound with molecular formula C19H17NO3S2 and molecular weight 371.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
Also Known As: ChemDiv1_018190, 2-(2,4-Dimethylphenyl)-2-oxoethyl 2-(2-benzothiazolylthio)acetate, A2560/0109056, 2-(2,4-dimethylphenyl)-2-oxoethyl (1,3-benzothiazol-2-ylsulfanyl)acetate, (Benzothiazol-2-ylsulfanyl)acetic acid, 2-(2,4-dimethylphenyl)-2-oxoethyl ester
| Molecular Formula | C19H17NO3S2 |
|---|---|
| Molecular Weight | 371.06 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 371.06497 |
| Heavy Atoms | 25 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 385380-88-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)COC(=O)CSC2=NC3=CC=CC=C3S2)C |
| InChIKey | VVHDVTPFGBLWEC-UHFFFAOYSA-N |
Product Overview
2-(2,4-Dimethylphenyl)-2-oxoethyl 2-(2-benzothiazolylthio)acetate (CAS 385380-88-1), with molecular formula C19H17NO3S2 and molecular weight 371.06 g/mol. IUPAC: [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate.
Chemical Property Profile of 2-(2,4-Dimethylphenyl)-2-oxoethyl 2-(2-benzothiazolylthio)acetate
Property Insights of 2-(2,4-Dimethylphenyl)-2-oxoethyl 2-(2-benzothiazolylthio)acetate
The XLogP value of 5.3 indicates that 2-(2,4-Dimethylphenyl)-2-oxoethyl 2-(2-benzothiazolylthio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,4-Dimethylphenyl)-2-oxoethyl 2-(2-benzothiazolylthio)acetate. Following Lipinski's Rule of Five, 2-(2,4-Dimethylphenyl)-2-oxoethyl 2-(2-benzothiazolylthio)acetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2,4-Dimethylphenyl)-2-oxoethyl 2-(2-benzothiazolylthio)acetate?
The CAS number of 2-(2,4-Dimethylphenyl)-2-oxoethyl 2-(2-benzothiazolylthio)acetate is 385380-88-1.
What is the molecular formula of 2-(2,4-Dimethylphenyl)-2-oxoethyl 2-(2-benzothiazolylthio)acetate?
The molecular formula of 2-(2,4-Dimethylphenyl)-2-oxoethyl 2-(2-benzothiazolylthio)acetate is C19H17NO3S2.
What is the molecular weight of 2-(2,4-Dimethylphenyl)-2-oxoethyl 2-(2-benzothiazolylthio)acetate?
The molecular weight of 2-(2,4-Dimethylphenyl)-2-oxoethyl 2-(2-benzothiazolylthio)acetate is 371.06 g/mol.
Where can I buy 2-(2,4-Dimethylphenyl)-2-oxoethyl 2-(2-benzothiazolylthio)acetate?
You can request a quote for 2-(2,4-Dimethylphenyl)-2-oxoethyl 2-(2-benzothiazolylthio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,4-Dimethylphenyl)-2-oxoethyl 2-(2-benzothiazolylthio)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-Dimethylphenyl)-2-oxoethyl 2-(2-benzothiazolylthio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.