2-Imidazoline, 2-methyl-1-(3,4,5-trimethoxythiobenzoyl)-
TL;DR: 2-Imidazoline, 2-methyl-1-(3,4,5-trimethoxythiobenzoyl)- (CAS 70733-77-6) is a chemical compound with molecular formula C14H18N2O3S and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-4,5-dihydroimidazol-1-yl)-(3,4,5-trimethoxyphenyl)methanethione
Also Known As: 5-23-03-00387 (Beilstein Handbook Reference), 2-IMIDAZOLINE, 2-METHYL-1-(3,4,5-TRIMETHOXYTHIOBENZOYL)-, 2-Methyl-1-(3,4,5-trimethoxythiobenzoyl)-2-imidazoline, (2-methyl-4,5-dihydroimidazol-1-yl)-(3,4,5-trimethoxyphenyl)methanethione, (2-Methyl-4,5-dihydro-1H-imidazol-1-yl)(3,4,5-trimethoxyphenyl)methanethione
| Molecular Formula | C14H18N2O3S |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.10382 |
| Heavy Atoms | 20 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 70733-77-6 |
|---|---|
| SMILES | CC1=NCCN1C(=S)C2=CC(=C(C(=C2)OC)OC)OC |
| InChIKey | BRFXSUBNRDKIBY-UHFFFAOYSA-N |
Product Overview
2-Imidazoline, 2-methyl-1-(3,4,5-trimethoxythiobenzoyl)- (CAS 70733-77-6), with molecular formula C14H18N2O3S and molecular weight 294.10 g/mol. IUPAC: (2-methyl-4,5-dihydroimidazol-1-yl)-(3,4,5-trimethoxyphenyl)methanethione.
Chemical Property Profile of 2-Imidazoline, 2-methyl-1-(3,4,5-trimethoxythiobenzoyl)-
Property Insights of 2-Imidazoline, 2-methyl-1-(3,4,5-trimethoxythiobenzoyl)-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Imidazoline, 2-methyl-1-(3,4,5-trimethoxythiobenzoyl)-. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Imidazoline, 2-methyl-1-(3,4,5-trimethoxythiobenzoyl)-. Following Lipinski's Rule of Five, 2-Imidazoline, 2-methyl-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 2-Imidazoline, 2-methyl-1-(3,4,5-trimethoxythiobenzoyl)-?
The CAS number of 2-Imidazoline, 2-methyl-1-(3,4,5-trimethoxythiobenzoyl)- is 70733-77-6.
What is the molecular formula of 2-Imidazoline, 2-methyl-1-(3,4,5-trimethoxythiobenzoyl)-?
The molecular formula of 2-Imidazoline, 2-methyl-1-(3,4,5-trimethoxythiobenzoyl)- is C14H18N2O3S.
What is the molecular weight of 2-Imidazoline, 2-methyl-1-(3,4,5-trimethoxythiobenzoyl)-?
The molecular weight of 2-Imidazoline, 2-methyl-1-(3,4,5-trimethoxythiobenzoyl)- is 294.10 g/mol.
Where can I buy 2-Imidazoline, 2-methyl-1-(3,4,5-trimethoxythiobenzoyl)-?
You can request a quote for 2-Imidazoline, 2-methyl-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 2-Imidazoline, 2-methyl-1-(3,4,5-trimethoxythiobenzoyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Imidazoline, 2-methyl-1-(3,4,5-trimethoxythiobenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.