2-(1,3-Benzothiazol-2-yl)-4-phenylbut-3-yn-2-yl phenylcarbamate
TL;DR: 2-(1,3-Benzothiazol-2-yl)-4-phenylbut-3-yn-2-yl phenylcarbamate (CAS 87446-19-3) is a chemical compound with molecular formula C24H18N2O2S and molecular weight 398.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1,3-benzothiazol-2-yl)-4-phenylbut-3-yn-2-yl] N-phenylcarbamate
Also Known As: 2-(1,3-Benzothiazol-2-yl)-4-phenylbut-3-yn-2-yl phenylcarbamate, [2-(1,3-benzothiazol-2-yl)-4-phenylbut-3-yn-2-yl] N-phenylca, [2-(1,3-benzothiazol-2-yl)-4-phenylbut-3-yn-2-yl] N-phenylcarbamate
| Molecular Formula | C24H18N2O2S |
|---|---|
| Molecular Weight | 398.11 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.1089 |
| Heavy Atoms | 29 |
| Complexity | 629.0 |
Chemical Identifiers
| CAS Number | 87446-19-3 |
|---|---|
| SMILES | CC(C#CC1=CC=CC=C1)(C2=NC3=CC=CC=C3S2)OC(=O)NC4=CC=CC=C4 |
| InChIKey | CPAPYYYNYQIMHU-UHFFFAOYSA-N |
Product Overview
2-(1,3-Benzothiazol-2-yl)-4-phenylbut-3-yn-2-yl phenylcarbamate (CAS 87446-19-3), with molecular formula C24H18N2O2S and molecular weight 398.11 g/mol. IUPAC: [2-(1,3-benzothiazol-2-yl)-4-phenylbut-3-yn-2-yl] N-phenylcarbamate.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-yl)-4-phenylbut-3-yn-2-yl phenylcarbamate
Property Insights of 2-(1,3-Benzothiazol-2-yl)-4-phenylbut-3-yn-2-yl phenylcarbamate
The XLogP value of 5.8 indicates that 2-(1,3-Benzothiazol-2-yl)-4-phenylbut-3-yn-2-yl phenylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzothiazol-2-yl)-4-phenylbut-3-yn-2-yl phenylcarbamate. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-yl)-4-phenylbut-3-yn-2-yl phenylcarbamate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1,3-Benzothiazol-2-yl)-4-phenylbut-3-yn-2-yl phenylcarbamate?
The CAS number of 2-(1,3-Benzothiazol-2-yl)-4-phenylbut-3-yn-2-yl phenylcarbamate is 87446-19-3.
What is the molecular formula of 2-(1,3-Benzothiazol-2-yl)-4-phenylbut-3-yn-2-yl phenylcarbamate?
The molecular formula of 2-(1,3-Benzothiazol-2-yl)-4-phenylbut-3-yn-2-yl phenylcarbamate is C24H18N2O2S.
What is the molecular weight of 2-(1,3-Benzothiazol-2-yl)-4-phenylbut-3-yn-2-yl phenylcarbamate?
The molecular weight of 2-(1,3-Benzothiazol-2-yl)-4-phenylbut-3-yn-2-yl phenylcarbamate is 398.11 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-yl)-4-phenylbut-3-yn-2-yl phenylcarbamate?
You can request a quote for 2-(1,3-Benzothiazol-2-yl)-4-phenylbut-3-yn-2-yl phenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzothiazol-2-yl)-4-phenylbut-3-yn-2-yl phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-yl)-4-phenylbut-3-yn-2-yl phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.