Imidazole, 1-(3,4,5-trimethoxythiobenzoyl)-
TL;DR: Imidazole, 1-(3,4,5-trimethoxythiobenzoyl)- (CAS 70733-76-5) is a chemical compound with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
imidazol-1-yl-(3,4,5-trimethoxyphenyl)methanethione
Also Known As: Imidazole, 1-(3,4,5-trimethoxythiobenzoyl)-, 1-(3,4,5-Trimethoxythiobenzoyl)imidazole, 5-23-04-00254 (Beilstein Handbook Reference), imidazol-1-yl-(3,4,5-trimethoxyphenyl)methanethione, (1H-Imidazol-1-yl)(3,4,5-trimethoxyphenyl)methanethione
| Molecular Formula | C13H14N2O3S |
|---|---|
| Molecular Weight | 278.07 g/mol |
| LogP | 2.1327 |
| Topological Polar Surface Area | 45.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.0725 |
| Heavy Atoms | 19 |
| Complexity | 556.5743 |
Chemical Identifiers
| CAS Number | 70733-76-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=S)N2C=CN=C2 |
Product Overview
Imidazole, 1-(3,4,5-trimethoxythiobenzoyl)- (CAS 70733-76-5), with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol. IUPAC: imidazol-1-yl-(3,4,5-trimethoxyphenyl)methanethione.
Chemical Property Profile of Imidazole, 1-(3,4,5-trimethoxythiobenzoyl)-
Property Insights of Imidazole, 1-(3,4,5-trimethoxythiobenzoyl)-
The XLogP value of 2.1327 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imidazole, 1-(3,4,5-trimethoxythiobenzoyl)-. With a topological polar surface area (TPSA) of 45.51 Ų, Imidazole, 1-(3,4,5-trimethoxythiobenzoyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Imidazole, 1-(3,4,5-trimethoxythiobenzoyl)- has 0 hydrogen bond donor(s) and 5 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 Imidazole, 1-(3,4,5-trimethoxythiobenzoyl)-?
The CAS number of Imidazole, 1-(3,4,5-trimethoxythiobenzoyl)- is 70733-76-5.
What is the molecular formula of Imidazole, 1-(3,4,5-trimethoxythiobenzoyl)-?
The molecular formula of Imidazole, 1-(3,4,5-trimethoxythiobenzoyl)- is C13H14N2O3S.
What is the molecular weight of Imidazole, 1-(3,4,5-trimethoxythiobenzoyl)-?
The molecular weight of Imidazole, 1-(3,4,5-trimethoxythiobenzoyl)- is 278.07 g/mol.
Where can I buy Imidazole, 1-(3,4,5-trimethoxythiobenzoyl)-?
You can request a quote for Imidazole, 1-(3,4,5-trimethoxythiobenzoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imidazole, 1-(3,4,5-trimethoxythiobenzoyl)-?
Yes, KEHONG BIO provides custom synthesis services for Imidazole, 1-(3,4,5-trimethoxythiobenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.