![2-(allylthio)-1-[3-(3,4,5-trimethoxyphenyl)acryloyl]-1H-benzimidazole structure](/static/products/116/1164459-49-7.png)
2-(allylthio)-1-[3-(3,4,5-trimethoxyphenyl)acryloyl]-1H-benzimidazole
TL;DR: 2-(allylthio)-1-[3-(3,4,5-trimethoxyphenyl)acryloyl]-1H-benzimidazole (CAS 1164459-49-7) is a chemical compound with molecular formula C22H22N2O4S and molecular weight 410.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(2-prop-2-enylsulfanylbenzimidazol-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Also Known As: (E)-1-(2-prop-2-enylsulfanylbenzimidazol-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one, 2-(allylthio)-1-[3-(3,4,5-trimethoxyphenyl)acryloyl]-1H-benzimidazole, (2E)-1-(2-prop-2-enylthiobenzimidazolyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1 -one, (E)-1-[2-(allylthio)benzimidazol-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one, (E)-1-[2-(prop-2-enylthio)-1-benzimidazolyl]-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one
| Molecular Formula | C22H22N2O4S |
|---|---|
| Molecular Weight | 410.13 g/mol |
| LogP | 4.6938 |
| Topological Polar Surface Area | 62.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 410.13004 |
| Heavy Atoms | 29 |
| Complexity | 1046.8546 |
Chemical Identifiers
| CAS Number | 1164459-49-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2C3=CC=CC=C3N=C2SCC=C |
Product Overview
2-(allylthio)-1-[3-(3,4,5-trimethoxyphenyl)acryloyl]-1H-benzimidazole (CAS 1164459-49-7), with molecular formula C22H22N2O4S and molecular weight 410.13 g/mol. IUPAC: (E)-1-(2-prop-2-enylsulfanylbenzimidazol-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.
Chemical Property Profile of 2-(allylthio)-1-[3-(3,4,5-trimethoxyphenyl)acryloyl]-1H-benzimidazole
Property Insights of 2-(allylthio)-1-[3-(3,4,5-trimethoxyphenyl)acryloyl]-1H-benzimidazole
The XLogP value of 4.6938 indicates that 2-(allylthio)-1-[3-(3,4,5-trimethoxyphenyl)acryloyl]-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(allylthio)-1-[3-(3,4,5-trimethoxyphenyl)acryloyl]-1H-benzimidazole. Following Lipinski's Rule of Five, 2-(allylthio)-1-[3-(3,4,5-trimethoxyphenyl)acryloyl]-1H-benzimidazole has 0 hydrogen bond donor(s) and 6 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-(allylthio)-1-[3-(3,4,5-trimethoxyphenyl)acryloyl]-1H-benzimidazole?
The CAS number of 2-(allylthio)-1-[3-(3,4,5-trimethoxyphenyl)acryloyl]-1H-benzimidazole is 1164459-49-7.
What is the molecular formula of 2-(allylthio)-1-[3-(3,4,5-trimethoxyphenyl)acryloyl]-1H-benzimidazole?
The molecular formula of 2-(allylthio)-1-[3-(3,4,5-trimethoxyphenyl)acryloyl]-1H-benzimidazole is C22H22N2O4S.
What is the molecular weight of 2-(allylthio)-1-[3-(3,4,5-trimethoxyphenyl)acryloyl]-1H-benzimidazole?
The molecular weight of 2-(allylthio)-1-[3-(3,4,5-trimethoxyphenyl)acryloyl]-1H-benzimidazole is 410.13 g/mol.
Where can I buy 2-(allylthio)-1-[3-(3,4,5-trimethoxyphenyl)acryloyl]-1H-benzimidazole?
You can request a quote for 2-(allylthio)-1-[3-(3,4,5-trimethoxyphenyl)acryloyl]-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(allylthio)-1-[3-(3,4,5-trimethoxyphenyl)acryloyl]-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(allylthio)-1-[3-(3,4,5-trimethoxyphenyl)acryloyl]-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.