![2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole structure](/static/products/5907/59077-64-4.webp)
2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole
TL;DR: 2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole (CAS 59077-64-4) is a chemical compound with molecular formula C16H16N2O2 and molecular weight 268.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dimethoxyphenyl)methyl]-1H-benzimidazole
Also Known As: 2-(3,4-Dimethoxybenzyl)-1H-benzimidazole, 2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole, 2-[(3,4-dimethoxyphenyl)methyl]-1H-benzimidazole, 2-(3,4-dimethoxybenzyl)benzimidazole, 2-(3,4-dimethoxybenzyl)-1H-benzo[d]imidazole
| Molecular Formula | C16H16N2O2 |
|---|---|
| Molecular Weight | 268.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 47.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.1212 |
| Heavy Atoms | 20 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 59077-64-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2=NC3=CC=CC=C3N2)OC |
| InChIKey | SRWWUKJFRDQIDV-UHFFFAOYSA-N |
Product Overview
2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole (CAS 59077-64-4), with molecular formula C16H16N2O2 and molecular weight 268.12 g/mol. IUPAC: 2-[(3,4-dimethoxyphenyl)methyl]-1H-benzimidazole.
Chemical Property Profile of 2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole
Property Insights of 2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole
The XLogP value of 3.4 indicates that 2-[(3,4-dimethoxyphenyl)methyl]-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 47.1 Ų, 2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole has 1 hydrogen bond donor(s) and 3 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-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole?
The CAS number of 2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole is 59077-64-4.
What is the molecular formula of 2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole?
The molecular formula of 2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole is C16H16N2O2.
What is the molecular weight of 2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole?
The molecular weight of 2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole is 268.12 g/mol.
Where can I buy 2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole?
You can request a quote for 2-[(3,4-dimethoxyphenyl)methyl]-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-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.