2-(4-Methoxyphenyl)-2-oxoethyl 2-benzothiazol-2-ylthioacetate
TL;DR: 2-(4-Methoxyphenyl)-2-oxoethyl 2-benzothiazol-2-ylthioacetate (CAS 325850-87-1) is a chemical compound with molecular formula C18H15NO4S2 and molecular weight 373.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
Also Known As: ChemDiv1_001987, AB00684097-01, 2-(4-methoxyphenyl)-2-oxoethyl 2-benzothiazol-2-ylthioacetate, F0223-0020, 2-(4-METHOXYPHENYL)-2-OXOETHYL 2-(1,3-BENZOTHIAZOL-2-YLSULFANYL)ACETATE
| Molecular Formula | C18H15NO4S2 |
|---|---|
| Molecular Weight | 373.04 g/mol |
| LogP | 3.8231 |
| Topological Polar Surface Area | 65.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 373.04425 |
| Heavy Atoms | 25 |
| Complexity | 856.48724 |
Chemical Identifiers
| CAS Number | 325850-87-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)COC(=O)CSC2=NC3=CC=CC=C3S2 |
Product Overview
2-(4-Methoxyphenyl)-2-oxoethyl 2-benzothiazol-2-ylthioacetate (CAS 325850-87-1), with molecular formula C18H15NO4S2 and molecular weight 373.04 g/mol. IUPAC: [2-(4-methoxyphenyl)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate.
Chemical Property Profile of 2-(4-Methoxyphenyl)-2-oxoethyl 2-benzothiazol-2-ylthioacetate
Property Insights of 2-(4-Methoxyphenyl)-2-oxoethyl 2-benzothiazol-2-ylthioacetate
The XLogP value of 3.8231 indicates that 2-(4-Methoxyphenyl)-2-oxoethyl 2-benzothiazol-2-ylthioacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methoxyphenyl)-2-oxoethyl 2-benzothiazol-2-ylthioacetate. Following Lipinski's Rule of Five, 2-(4-Methoxyphenyl)-2-oxoethyl 2-benzothiazol-2-ylthioacetate has 0 hydrogen bond donor(s) and 7 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-(4-Methoxyphenyl)-2-oxoethyl 2-benzothiazol-2-ylthioacetate?
The CAS number of 2-(4-Methoxyphenyl)-2-oxoethyl 2-benzothiazol-2-ylthioacetate is 325850-87-1.
What is the molecular formula of 2-(4-Methoxyphenyl)-2-oxoethyl 2-benzothiazol-2-ylthioacetate?
The molecular formula of 2-(4-Methoxyphenyl)-2-oxoethyl 2-benzothiazol-2-ylthioacetate is C18H15NO4S2.
What is the molecular weight of 2-(4-Methoxyphenyl)-2-oxoethyl 2-benzothiazol-2-ylthioacetate?
The molecular weight of 2-(4-Methoxyphenyl)-2-oxoethyl 2-benzothiazol-2-ylthioacetate is 373.04 g/mol.
Where can I buy 2-(4-Methoxyphenyl)-2-oxoethyl 2-benzothiazol-2-ylthioacetate?
You can request a quote for 2-(4-Methoxyphenyl)-2-oxoethyl 2-benzothiazol-2-ylthioacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methoxyphenyl)-2-oxoethyl 2-benzothiazol-2-ylthioacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methoxyphenyl)-2-oxoethyl 2-benzothiazol-2-ylthioacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.