3,4-Dimethoxyphenyl 2-methylthiobenzimidazolyl ketone
TL;DR: 3,4-Dimethoxyphenyl 2-methylthiobenzimidazolyl ketone (CAS 637320-41-3) is a chemical compound with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dimethoxyphenyl)-(2-methylsulfanylbenzimidazol-1-yl)methanone
Also Known As: IFLab1_006211, 3,4-dimethoxyphenyl 2-methylthiobenzimidazolyl ketone, F1494-0003, (3,4-dimethoxyphenyl)-(2-methylsulfanylbenzimidazol-1-yl)methanone, 1-(3,4-dimethoxybenzoyl)-2-(methylsulfanyl)-1H-1,3-benzodiazole
| Molecular Formula | C17H16N2O3S |
|---|---|
| Molecular Weight | 328.09 g/mol |
| LogP | 3.4639 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.08817 |
| Heavy Atoms | 23 |
| Complexity | 873.401 |
Chemical Identifiers
| CAS Number | 637320-41-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)N2C3=CC=CC=C3N=C2SC)OC |
Product Overview
3,4-Dimethoxyphenyl 2-methylthiobenzimidazolyl ketone (CAS 637320-41-3), with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol. IUPAC: (3,4-dimethoxyphenyl)-(2-methylsulfanylbenzimidazol-1-yl)methanone.
Chemical Property Profile of 3,4-Dimethoxyphenyl 2-methylthiobenzimidazolyl ketone
Property Insights of 3,4-Dimethoxyphenyl 2-methylthiobenzimidazolyl ketone
The XLogP value of 3.4639 indicates that 3,4-Dimethoxyphenyl 2-methylthiobenzimidazolyl ketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.35 Ų, 3,4-Dimethoxyphenyl 2-methylthiobenzimidazolyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethoxyphenyl 2-methylthiobenzimidazolyl ketone 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 3,4-Dimethoxyphenyl 2-methylthiobenzimidazolyl ketone?
The CAS number of 3,4-Dimethoxyphenyl 2-methylthiobenzimidazolyl ketone is 637320-41-3.
What is the molecular formula of 3,4-Dimethoxyphenyl 2-methylthiobenzimidazolyl ketone?
The molecular formula of 3,4-Dimethoxyphenyl 2-methylthiobenzimidazolyl ketone is C17H16N2O3S.
What is the molecular weight of 3,4-Dimethoxyphenyl 2-methylthiobenzimidazolyl ketone?
The molecular weight of 3,4-Dimethoxyphenyl 2-methylthiobenzimidazolyl ketone is 328.09 g/mol.
Where can I buy 3,4-Dimethoxyphenyl 2-methylthiobenzimidazolyl ketone?
You can request a quote for 3,4-Dimethoxyphenyl 2-methylthiobenzimidazolyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethoxyphenyl 2-methylthiobenzimidazolyl ketone?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethoxyphenyl 2-methylthiobenzimidazolyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.