4-(Acetylamino)phenyl 2-benzothiazol-2-ylthioacetate
TL;DR: 4-(Acetylamino)phenyl 2-benzothiazol-2-ylthioacetate (CAS 701237-76-5) is a chemical compound with molecular formula C17H14N2O3S2 and molecular weight 358.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetamidophenyl) 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
Also Known As: CBKinase1_006319, CBKinase1_018719, 4-(acetylamino)phenyl 2-benzothiazol-2-ylthioacetate, 4-acetamidophenyl 2-(benzo[d]thiazol-2-ylthio)acetate, BRD-K63774226-001-01-5
| Molecular Formula | C17H14N2O3S2 |
|---|---|
| Molecular Weight | 358.04 g/mol |
| LogP | 3.9524 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.0446 |
| Heavy Atoms | 24 |
| Complexity | 841.93286 |
Chemical Identifiers
| CAS Number | 701237-76-5 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)OC(=O)CSC2=NC3=CC=CC=C3S2 |
Product Overview
4-(Acetylamino)phenyl 2-benzothiazol-2-ylthioacetate (CAS 701237-76-5), with molecular formula C17H14N2O3S2 and molecular weight 358.04 g/mol. IUPAC: (4-acetamidophenyl) 2-(1,3-benzothiazol-2-ylsulfanyl)acetate.
Chemical Property Profile of 4-(Acetylamino)phenyl 2-benzothiazol-2-ylthioacetate
Property Insights of 4-(Acetylamino)phenyl 2-benzothiazol-2-ylthioacetate
The XLogP value of 3.9524 indicates that 4-(Acetylamino)phenyl 2-benzothiazol-2-ylthioacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Acetylamino)phenyl 2-benzothiazol-2-ylthioacetate. Following Lipinski's Rule of Five, 4-(Acetylamino)phenyl 2-benzothiazol-2-ylthioacetate has 1 hydrogen bond donor(s) and 6 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 4-(Acetylamino)phenyl 2-benzothiazol-2-ylthioacetate?
The CAS number of 4-(Acetylamino)phenyl 2-benzothiazol-2-ylthioacetate is 701237-76-5.
What is the molecular formula of 4-(Acetylamino)phenyl 2-benzothiazol-2-ylthioacetate?
The molecular formula of 4-(Acetylamino)phenyl 2-benzothiazol-2-ylthioacetate is C17H14N2O3S2.
What is the molecular weight of 4-(Acetylamino)phenyl 2-benzothiazol-2-ylthioacetate?
The molecular weight of 4-(Acetylamino)phenyl 2-benzothiazol-2-ylthioacetate is 358.04 g/mol.
Where can I buy 4-(Acetylamino)phenyl 2-benzothiazol-2-ylthioacetate?
You can request a quote for 4-(Acetylamino)phenyl 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 4-(Acetylamino)phenyl 2-benzothiazol-2-ylthioacetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Acetylamino)phenyl 2-benzothiazol-2-ylthioacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.