Carbanilic acid, p-ethoxy-, 4-thiocyanato-2-butynyl ester
TL;DR: Carbanilic acid, p-ethoxy-, 4-thiocyanato-2-butynyl ester (CAS 14225-21-9) is a chemical compound with molecular formula C14H14N2O3S and molecular weight 290.0725 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-thiocyanatobut-2-ynyl N-(4-ethoxyphenyl)carbamate
Also Known As: 4-Thiocyanato-2-butynyl-p-ethoxycarbanilate, 4-thiocyanatobut-2-ynyl N-(4-ethoxyphenyl)carbamate, p-Ethoxycarbanilic acid 4-thiocyanato-2-butynyl ester, CARBANILIC ACID, p-ETHOXY-, 4-THIOCYANATO-2-BUTYNYL ESTER, 8H-Dibenzo[a,g]quinolizin-8-one, 5,6-dihydro-
Technical Specifications
| Molecular Formula | C14H14N2O3S |
| Molecular Weight | 290.0725 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 96.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 290.0725 Da |
| Heavy Atoms | 20 |
| Complexity | 410.0 |
| SMILES | CCOC1=CC=C(C=C1)NC(=O)OCC#CCSC#N |
| InChIKey | ADIPIHXKOGFBPH-UHFFFAOYSA-N |
Chemical Property Profile of Carbanilic acid, p-ethoxy-, 4-thiocyanato-2-butynyl ester
Property Insights of Carbanilic acid, p-ethoxy-, 4-thiocyanato-2-butynyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbanilic acid, p-ethoxy-, 4-thiocyanato-2-butynyl ester. The TPSA of 96.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbanilic acid, p-ethoxy-, 4-thiocyanato-2-butynyl ester. Following Lipinski's Rule of Five, Carbanilic acid, p-ethoxy-, 4-thiocyanato-2-butynyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Carbanilic acid, p-ethoxy-, 4-thiocyanato-2-butynyl ester?
The CAS number of Carbanilic acid, p-ethoxy-, 4-thiocyanato-2-butynyl ester is 14225-21-9.
What is the molecular formula of Carbanilic acid, p-ethoxy-, 4-thiocyanato-2-butynyl ester?
The molecular formula of Carbanilic acid, p-ethoxy-, 4-thiocyanato-2-butynyl ester is C14H14N2O3S.
What is the molecular weight of Carbanilic acid, p-ethoxy-, 4-thiocyanato-2-butynyl ester?
The molecular weight of Carbanilic acid, p-ethoxy-, 4-thiocyanato-2-butynyl ester is 290.0725 g/mol.
Where can I buy Carbanilic acid, p-ethoxy-, 4-thiocyanato-2-butynyl ester?
You can request a quote for Carbanilic acid, p-ethoxy-, 4-thiocyanato-2-butynyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbanilic acid, p-ethoxy-, 4-thiocyanato-2-butynyl ester?
Yes, CoreyChem provides custom synthesis services for Carbanilic acid, p-ethoxy-, 4-thiocyanato-2-butynyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.