2-Imidazoline-1-carboxylic acid, 2-allylthio-, methyl ester
TL;DR: 2-Imidazoline-1-carboxylic acid, 2-allylthio-, methyl ester (CAS 61076-84-4) is a chemical compound with molecular formula C8H12N2O2S and molecular weight 200.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-prop-2-enylsulfanyl-4,5-dihydroimidazole-1-carboxylate
Also Known As: Imidazolidine, 2-allylthio-3-methoxycarbonyl-, 2-Allylthio-2-imidazoline-1-carboxylic acid methyl ester, 2-IMIDAZOLINE-1-CARBOXYLIC ACID, 2-ALLYLTHIO-, METHYL ESTER, methyl 2-prop-2-enylsulfanyl-4,5-dihydroimidazole-1-carboxylate, Methyl 2-[(prop-2-en-1-yl)sulfanyl]-4,5-dihydro-1H-imidazole-1-carboxylate
| Molecular Formula | C8H12N2O2S |
|---|---|
| Molecular Weight | 200.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 200.06195 |
| Heavy Atoms | 13 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 61076-84-4 |
|---|---|
| SMILES | COC(=O)N1CCN=C1SCC=C |
| InChIKey | OPCDKHZQXSNOBB-UHFFFAOYSA-N |
Product Overview
2-Imidazoline-1-carboxylic acid, 2-allylthio-, methyl ester (CAS 61076-84-4), with molecular formula C8H12N2O2S and molecular weight 200.06 g/mol. IUPAC: methyl 2-prop-2-enylsulfanyl-4,5-dihydroimidazole-1-carboxylate.
Chemical Property Profile of 2-Imidazoline-1-carboxylic acid, 2-allylthio-, methyl ester
Property Insights of 2-Imidazoline-1-carboxylic acid, 2-allylthio-, methyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Imidazoline-1-carboxylic acid, 2-allylthio-, methyl ester. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Imidazoline-1-carboxylic acid, 2-allylthio-, methyl ester. Following Lipinski's Rule of Five, 2-Imidazoline-1-carboxylic acid, 2-allylthio-, methyl ester has 0 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 2-Imidazoline-1-carboxylic acid, 2-allylthio-, methyl ester?
The CAS number of 2-Imidazoline-1-carboxylic acid, 2-allylthio-, methyl ester is 61076-84-4.
What is the molecular formula of 2-Imidazoline-1-carboxylic acid, 2-allylthio-, methyl ester?
The molecular formula of 2-Imidazoline-1-carboxylic acid, 2-allylthio-, methyl ester is C8H12N2O2S.
What is the molecular weight of 2-Imidazoline-1-carboxylic acid, 2-allylthio-, methyl ester?
The molecular weight of 2-Imidazoline-1-carboxylic acid, 2-allylthio-, methyl ester is 200.06 g/mol.
Where can I buy 2-Imidazoline-1-carboxylic acid, 2-allylthio-, methyl ester?
You can request a quote for 2-Imidazoline-1-carboxylic acid, 2-allylthio-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Imidazoline-1-carboxylic acid, 2-allylthio-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Imidazoline-1-carboxylic acid, 2-allylthio-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.