1H-苯并咪唑-2-甲醛
TL;DR: 1H-苯并咪唑-2-甲醛 (CAS 3314-30-5) is a chemical compound with molecular formula C8H6N2O and molecular weight 146.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-苯并咪唑-2-甲醛
1H-benzimidazole-2-carbaldehyde
Also Known As: 1H-Benzimidazole-2-carboxaldehyde, 1H-Benzimidazole-2-carbaldehyde, 1h-benzo[d]imidazole-2-carbaldehyde, 1H-Benzoimidazole-2-carboxaldehyde, 2-Formylbenzimidazole
| Molecular Formula | C8H6N2O |
|---|---|
| Molecular Weight | 146.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 146.04802 |
| Heavy Atoms | 11 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 3314-30-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)C=O |
| InChIKey | DQOSJWYZDQIMGM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-苯并咪唑-2-甲醛 (CAS 3314-30-5), with molecular formula C8H6N2O and molecular weight 146.05 g/mol. IUPAC: 1H-benzimidazole-2-carbaldehyde.
Chemical Property Profile of 1H-苯并咪唑-2-甲醛
Property Insights of 1H-苯并咪唑-2-甲醛
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-苯并咪唑-2-甲醛. With a topological polar surface area (TPSA) of 45.8 Ų, 1H-苯并咪唑-2-甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-苯并咪唑-2-甲醛 has 1 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 1H-苯并咪唑-2-甲醛?
The CAS number of 1H-苯并咪唑-2-甲醛 is 3314-30-5.
What is the molecular formula of 1H-苯并咪唑-2-甲醛?
The molecular formula of 1H-苯并咪唑-2-甲醛 is C8H6N2O.
What is the molecular weight of 1H-苯并咪唑-2-甲醛?
The molecular weight of 1H-苯并咪唑-2-甲醛 is 146.05 g/mol.
Where can I buy 1H-苯并咪唑-2-甲醛?
You can request a quote for 1H-苯并咪唑-2-甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-苯并咪唑-2-甲醛?
Yes, KEHONG BIO provides custom synthesis services for 1H-苯并咪唑-2-甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.