4-Imidazolethiocarboxylic acid, 3-(alpha-methylbenzyl)-, S-phenyl ester, hydrochloride, (-)-
TL;DR: 4-Imidazolethiocarboxylic acid, 3-(alpha-methylbenzyl)-, S-phenyl ester, hydrochloride, (-)- (CAS 66641-87-0) is a chemical compound with molecular formula C18H17ClN2OS and molecular weight 344.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-phenyl 3-(1-phenylethyl)imidazole-4-carbothioate;hydrochloride
Also Known As: 4-Imidazolethiocarboxylic acid, 3-(alpha-methylbenzyl)-, S-phenyl ester, hydrochloride, (-)-, 4-Imidazolethiocarboxylic acid, 3-(alpha-methylbenzyl)-, S-phenyl ester, hydrochloride, (+-)-, (+)-S-Phenyl, 3-(alpha-methylbenzyl)-4-imidazolethiocarboxylate hydrochloride, (+-)-S-Phenyl, 3-(alpha-methylbenzyl)-4-imidazolethiocarboxylate hydrochloride, (-)-S-Phenyl, 3-(alpha-methylbenzyl)-4-imidazolethiocarboxylate hydrochloride
| Molecular Formula | C18H17ClN2OS |
|---|---|
| Molecular Weight | 344.07 g/mol |
| LogP | 4.8467 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.075 |
| Heavy Atoms | 23 |
| Complexity | 758.96234 |
Chemical Identifiers
| CAS Number | 66641-87-0 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)N2C=NC=C2C(=O)SC3=CC=CC=C3.Cl |
Product Overview
4-Imidazolethiocarboxylic acid, 3-(alpha-methylbenzyl)-, S-phenyl ester, hydrochloride, (-)- (CAS 66641-87-0), with molecular formula C18H17ClN2OS and molecular weight 344.07 g/mol. IUPAC: S-phenyl 3-(1-phenylethyl)imidazole-4-carbothioate;hydrochloride.
Chemical Property Profile of 4-Imidazolethiocarboxylic acid, 3-(alpha-methylbenzyl)-, S-phenyl ester, hydrochloride, (-)-
Property Insights of 4-Imidazolethiocarboxylic acid, 3-(alpha-methylbenzyl)-, S-phenyl ester, hydrochloride, (-)-
The XLogP value of 4.8467 indicates that 4-Imidazolethiocarboxylic acid, 3-(alpha-methylbenzyl)-, S-phenyl ester, hydrochloride, (-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 4-Imidazolethiocarboxylic acid, 3-(alpha-methylbenzyl)-, S-phenyl ester, hydrochloride, (-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Imidazolethiocarboxylic acid, 3-(alpha-methylbenzyl)-, S-phenyl ester, hydrochloride, (-)- has 0 hydrogen bond donor(s) and 3 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-Imidazolethiocarboxylic acid, 3-(alpha-methylbenzyl)-, S-phenyl ester, hydrochloride, (-)-?
The CAS number of 4-Imidazolethiocarboxylic acid, 3-(alpha-methylbenzyl)-, S-phenyl ester, hydrochloride, (-)- is 66641-87-0.
What is the molecular formula of 4-Imidazolethiocarboxylic acid, 3-(alpha-methylbenzyl)-, S-phenyl ester, hydrochloride, (-)-?
The molecular formula of 4-Imidazolethiocarboxylic acid, 3-(alpha-methylbenzyl)-, S-phenyl ester, hydrochloride, (-)- is C18H17ClN2OS.
What is the molecular weight of 4-Imidazolethiocarboxylic acid, 3-(alpha-methylbenzyl)-, S-phenyl ester, hydrochloride, (-)-?
The molecular weight of 4-Imidazolethiocarboxylic acid, 3-(alpha-methylbenzyl)-, S-phenyl ester, hydrochloride, (-)- is 344.07 g/mol.
Where can I buy 4-Imidazolethiocarboxylic acid, 3-(alpha-methylbenzyl)-, S-phenyl ester, hydrochloride, (-)-?
You can request a quote for 4-Imidazolethiocarboxylic acid, 3-(alpha-methylbenzyl)-, S-phenyl ester, hydrochloride, (-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Imidazolethiocarboxylic acid, 3-(alpha-methylbenzyl)-, S-phenyl ester, hydrochloride, (-)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Imidazolethiocarboxylic acid, 3-(alpha-methylbenzyl)-, S-phenyl ester, hydrochloride, (-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.