4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl naphthalene-1-carboxylate
TL;DR: 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl naphthalene-1-carboxylate (CAS 840471-83-2) is a chemical compound with molecular formula C22H15NO2S2 and molecular weight 389.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzothiazol-2-ylsulfanyl)but-2-ynyl naphthalene-1-carboxylate
Also Known As: AB01334332-02, 4-(benzo[d]thiazol-2-ylthio)but-2-yn-1-yl 1-naphthoate, 4-(1,3-benzothiazol-2-ylsulfanyl)but-2-yn-1-yl naphthalene-1-carboxylate, 4-(1,3-benzothiazol-2-ylsulfanyl)but-2-ynyl naphthalene-1-carboxylate
| Molecular Formula | C22H15NO2S2 |
|---|---|
| Molecular Weight | 389.05 g/mol |
| LogP | 5.402 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.0544 |
| Heavy Atoms | 27 |
| Complexity | 1132.5874 |
Chemical Identifiers
| CAS Number | 840471-83-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2C(=O)OCC#CCSC3=NC4=CC=CC=C4S3 |
Product Overview
4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl naphthalene-1-carboxylate (CAS 840471-83-2), with molecular formula C22H15NO2S2 and molecular weight 389.05 g/mol. IUPAC: 4-(1,3-benzothiazol-2-ylsulfanyl)but-2-ynyl naphthalene-1-carboxylate.
Chemical Property Profile of 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl naphthalene-1-carboxylate
Property Insights of 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl naphthalene-1-carboxylate
The XLogP value of 5.402 indicates that 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl naphthalene-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl naphthalene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl naphthalene-1-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl naphthalene-1-carboxylate?
The CAS number of 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl naphthalene-1-carboxylate is 840471-83-2.
What is the molecular formula of 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl naphthalene-1-carboxylate?
The molecular formula of 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl naphthalene-1-carboxylate is C22H15NO2S2.
What is the molecular weight of 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl naphthalene-1-carboxylate?
The molecular weight of 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl naphthalene-1-carboxylate is 389.05 g/mol.
Where can I buy 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl naphthalene-1-carboxylate?
You can request a quote for 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl naphthalene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl naphthalene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl naphthalene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.