Carbanilic acid, p-methyl-, 4-thiocyanato-2-butynyl ester
TL;DR: Carbanilic acid, p-methyl-, 4-thiocyanato-2-butynyl ester (CAS 73623-22-0) is a chemical compound with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-thiocyanatobut-2-ynyl N-(4-methylphenyl)carbamate
Also Known As: 4-Thiocyanato-2-butynyl p-methylcarbanilate, p-Methylcarbanilic acid 4-thiocyanato-2-butynyl ester, CARBANILIC ACID, p-METHYL-, 4-THIOCYANATO-2-BUTYNYL ESTER, 4-Thiocyanato-2-butinyl-4-methylphenylcarbamat, 4-thiocyanatobut-2-ynyl N-(4-methylphenyl)carbamate
| Molecular Formula | C13H12N2O2S |
|---|---|
| Molecular Weight | 260.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.06195 |
| Heavy Atoms | 18 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 73623-22-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)OCC#CCSC#N |
| InChIKey | DCOGTCBPFWOKEJ-UHFFFAOYSA-N |
Product Overview
Carbanilic acid, p-methyl-, 4-thiocyanato-2-butynyl ester (CAS 73623-22-0), with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol. IUPAC: 4-thiocyanatobut-2-ynyl N-(4-methylphenyl)carbamate.
Chemical Property Profile of Carbanilic acid, p-methyl-, 4-thiocyanato-2-butynyl ester
Property Insights of Carbanilic acid, p-methyl-, 4-thiocyanato-2-butynyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbanilic acid, p-methyl-, 4-thiocyanato-2-butynyl ester. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbanilic acid, p-methyl-, 4-thiocyanato-2-butynyl ester. Following Lipinski's Rule of Five, Carbanilic acid, p-methyl-, 4-thiocyanato-2-butynyl ester 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 Carbanilic acid, p-methyl-, 4-thiocyanato-2-butynyl ester?
The CAS number of Carbanilic acid, p-methyl-, 4-thiocyanato-2-butynyl ester is 73623-22-0.
What is the molecular formula of Carbanilic acid, p-methyl-, 4-thiocyanato-2-butynyl ester?
The molecular formula of Carbanilic acid, p-methyl-, 4-thiocyanato-2-butynyl ester is C13H12N2O2S.
What is the molecular weight of Carbanilic acid, p-methyl-, 4-thiocyanato-2-butynyl ester?
The molecular weight of Carbanilic acid, p-methyl-, 4-thiocyanato-2-butynyl ester is 260.06 g/mol.
Where can I buy Carbanilic acid, p-methyl-, 4-thiocyanato-2-butynyl ester?
You can request a quote for Carbanilic acid, p-methyl-, 4-thiocyanato-2-butynyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbanilic acid, p-methyl-, 4-thiocyanato-2-butynyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, p-methyl-, 4-thiocyanato-2-butynyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.