4-硫氰酸根-2-丁炔基苯胺基甲酸酯
TL;DR: 4-硫氰酸根-2-丁炔基苯胺基甲酸酯 (CAS 73623-23-1) is a chemical compound with molecular formula C12H10N2O2S and molecular weight 246.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-硫氰酸根-2-丁炔基苯胺基甲酸酯
but-2-ynyl N-(4-thiocyanatophenyl)carbamate
Also Known As: 4-Thiocyanato-2-butynyl carbanilate, CARBANILIC ACID, 4-THIOCYANATO-2-BUTYNYL ESTER, but-2-ynyl N-(4-thiocyanatophenyl)carbamate, But-2-yn-1-yl [4-(thiocyanato)phenyl]carbamate, BRN 2737859
| Molecular Formula | C12H10N2O2S |
|---|---|
| Molecular Weight | 246.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.0463 |
| Heavy Atoms | 17 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 73623-23-1 |
|---|---|
| SMILES | CC#CCOC(=O)NC1=CC=C(C=C1)SC#N |
| InChIKey | ZYMKQLSJPXXGRO-UHFFFAOYSA-N |
Product Overview
4-硫氰酸根-2-丁炔基苯胺基甲酸酯 (CAS 73623-23-1), with molecular formula C12H10N2O2S and molecular weight 246.05 g/mol. IUPAC: but-2-ynyl N-(4-thiocyanatophenyl)carbamate.
Chemical Property Profile of 4-硫氰酸根-2-丁炔基苯胺基甲酸酯
Property Insights of 4-硫氰酸根-2-丁炔基苯胺基甲酸酯
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-硫氰酸根-2-丁炔基苯胺基甲酸酯. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-硫氰酸根-2-丁炔基苯胺基甲酸酯. Following Lipinski's Rule of Five, 4-硫氰酸根-2-丁炔基苯胺基甲酸酯 has 1 hydrogen bond donor(s) and 4 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-硫氰酸根-2-丁炔基苯胺基甲酸酯?
The CAS number of 4-硫氰酸根-2-丁炔基苯胺基甲酸酯 is 73623-23-1.
What is the molecular formula of 4-硫氰酸根-2-丁炔基苯胺基甲酸酯?
The molecular formula of 4-硫氰酸根-2-丁炔基苯胺基甲酸酯 is C12H10N2O2S.
What is the molecular weight of 4-硫氰酸根-2-丁炔基苯胺基甲酸酯?
The molecular weight of 4-硫氰酸根-2-丁炔基苯胺基甲酸酯 is 246.05 g/mol.
Where can I buy 4-硫氰酸根-2-丁炔基苯胺基甲酸酯?
You can request a quote for 4-硫氰酸根-2-丁炔基苯胺基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-硫氰酸根-2-丁炔基苯胺基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 4-硫氰酸根-2-丁炔基苯胺基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.