![2-[(4-methylphenoxy)methyl]-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole structure](/static/products/876/876883-04-4.png)
2-[(4-methylphenoxy)methyl]-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole
TL;DR: 2-[(4-methylphenoxy)methyl]-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole (CAS 876883-04-4) is a chemical compound with molecular formula C18H16N2O and molecular weight 276.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methylphenoxy)methyl]-1-prop-2-ynylbenzimidazole
Also Known As: BAS 11136194, 2-[(4-methylphenoxy)methyl]-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole, VU0607508-1, 2-[(4-methylphenoxy)methyl]-1-prop-2-ynylbenzimidazole, 1-Prop-2-ynyl-2-p-tolyloxymethyl-1H-benzoimidazole
| Molecular Formula | C18H16N2O |
|---|---|
| Molecular Weight | 276.13 g/mol |
| LogP | 3.55692 |
| Topological Polar Surface Area | 27.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.12625 |
| Heavy Atoms | 21 |
| Complexity | 794.1915 |
Chemical Identifiers
| CAS Number | 876883-04-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N2CC#C |
Product Overview
2-[(4-methylphenoxy)methyl]-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole (CAS 876883-04-4), with molecular formula C18H16N2O and molecular weight 276.13 g/mol. IUPAC: 2-[(4-methylphenoxy)methyl]-1-prop-2-ynylbenzimidazole.
Chemical Property Profile of 2-[(4-methylphenoxy)methyl]-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole
Property Insights of 2-[(4-methylphenoxy)methyl]-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole
The XLogP value of 3.55692 indicates that 2-[(4-methylphenoxy)methyl]-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.05 Ų, 2-[(4-methylphenoxy)methyl]-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-methylphenoxy)methyl]-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole has 0 hydrogen bond donor(s) and 2 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-[(4-methylphenoxy)methyl]-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole?
The CAS number of 2-[(4-methylphenoxy)methyl]-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole is 876883-04-4.
What is the molecular formula of 2-[(4-methylphenoxy)methyl]-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole?
The molecular formula of 2-[(4-methylphenoxy)methyl]-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole is C18H16N2O.
What is the molecular weight of 2-[(4-methylphenoxy)methyl]-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole?
The molecular weight of 2-[(4-methylphenoxy)methyl]-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole is 276.13 g/mol.
Where can I buy 2-[(4-methylphenoxy)methyl]-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole?
You can request a quote for 2-[(4-methylphenoxy)methyl]-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-methylphenoxy)methyl]-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-methylphenoxy)methyl]-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.