2-(4-methylphenyl)-1-(prop-2-en-1-yl)-1H-1,3-benzodiazole
TL;DR: 2-(4-methylphenyl)-1-(prop-2-en-1-yl)-1H-1,3-benzodiazole (CAS 714261-03-7) is a chemical compound with molecular formula C17H16N2 and molecular weight 248.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)-1-prop-2-enylbenzimidazole
Also Known As: 1-allyl-2-(p-tolyl)-1H-benzo[d]imidazole, 2-(4-methylphenyl)-1-prop-2-enylbenzimidazole, 2-(4-methylphenyl)-1-(prop-2-en-1-yl)-1H-1,3-benzodiazole, 1-allyl-2-(p-tolyl)-1H-1,3-benzimidazole, 1-allyl-2-(4-methylphenyl)-1H-benzimidazole
| Molecular Formula | C17H16N2 |
|---|---|
| Molecular Weight | 248.13 g/mol |
| LogP | 4.19772 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.13135 |
| Heavy Atoms | 19 |
| Complexity | 720.6068 |
Chemical Identifiers
| CAS Number | 714261-03-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=CC=CC=C3N2CC=C |
Product Overview
2-(4-methylphenyl)-1-(prop-2-en-1-yl)-1H-1,3-benzodiazole (CAS 714261-03-7), with molecular formula C17H16N2 and molecular weight 248.13 g/mol. IUPAC: 2-(4-methylphenyl)-1-prop-2-enylbenzimidazole.
Chemical Property Profile of 2-(4-methylphenyl)-1-(prop-2-en-1-yl)-1H-1,3-benzodiazole
Property Insights of 2-(4-methylphenyl)-1-(prop-2-en-1-yl)-1H-1,3-benzodiazole
The XLogP value of 4.19772 indicates that 2-(4-methylphenyl)-1-(prop-2-en-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 17.82 Ų, 2-(4-methylphenyl)-1-(prop-2-en-1-yl)-1H-1,3-benzodiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-methylphenyl)-1-(prop-2-en-1-yl)-1H-1,3-benzodiazole has 0 hydrogen bond donor(s) and 1 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-methylphenyl)-1-(prop-2-en-1-yl)-1H-1,3-benzodiazole?
The CAS number of 2-(4-methylphenyl)-1-(prop-2-en-1-yl)-1H-1,3-benzodiazole is 714261-03-7.
What is the molecular formula of 2-(4-methylphenyl)-1-(prop-2-en-1-yl)-1H-1,3-benzodiazole?
The molecular formula of 2-(4-methylphenyl)-1-(prop-2-en-1-yl)-1H-1,3-benzodiazole is C17H16N2.
What is the molecular weight of 2-(4-methylphenyl)-1-(prop-2-en-1-yl)-1H-1,3-benzodiazole?
The molecular weight of 2-(4-methylphenyl)-1-(prop-2-en-1-yl)-1H-1,3-benzodiazole is 248.13 g/mol.
Where can I buy 2-(4-methylphenyl)-1-(prop-2-en-1-yl)-1H-1,3-benzodiazole?
You can request a quote for 2-(4-methylphenyl)-1-(prop-2-en-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-methylphenyl)-1-(prop-2-en-1-yl)-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-methylphenyl)-1-(prop-2-en-1-yl)-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.