4-(1H-imidazol-1-yl)benzaldehyde
TL;DR: 4-(1H-imidazol-1-yl)benzaldehyde (CAS 70460-60-5) is a chemical compound with molecular formula C10H8N2O and molecular weight 172.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-imidazol-1-ylbenzaldehyde
Also Known As: 4-(1H-Imidazol-1-yl)benzaldehyde, 4-Imidazol-1-yl-benzaldehyde, 4-imidazol-1-ylbenzaldehyde, 4-(1-imidazolyl)benzaldehyde, zlchem 1184
| Molecular Formula | C10H8N2O |
|---|---|
| Molecular Weight | 172.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.06366 |
| Heavy Atoms | 13 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 70460-60-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C=O)N2C=CN=C2 |
| InChIKey | DCICUQFMCRPKHZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(1H-imidazol-1-yl)benzaldehyde (CAS 70460-60-5), with molecular formula C10H8N2O and molecular weight 172.06 g/mol. IUPAC: 4-imidazol-1-ylbenzaldehyde.
Chemical Property Profile of 4-(1H-imidazol-1-yl)benzaldehyde
Property Insights of 4-(1H-imidazol-1-yl)benzaldehyde
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1H-imidazol-1-yl)benzaldehyde. With a topological polar surface area (TPSA) of 34.9 Ų, 4-(1H-imidazol-1-yl)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1H-imidazol-1-yl)benzaldehyde 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 4-(1H-imidazol-1-yl)benzaldehyde?
The CAS number of 4-(1H-imidazol-1-yl)benzaldehyde is 70460-60-5.
What is the molecular formula of 4-(1H-imidazol-1-yl)benzaldehyde?
The molecular formula of 4-(1H-imidazol-1-yl)benzaldehyde is C10H8N2O.
What is the molecular weight of 4-(1H-imidazol-1-yl)benzaldehyde?
The molecular weight of 4-(1H-imidazol-1-yl)benzaldehyde is 172.06 g/mol.
Where can I buy 4-(1H-imidazol-1-yl)benzaldehyde?
You can request a quote for 4-(1H-imidazol-1-yl)benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1H-imidazol-1-yl)benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-(1H-imidazol-1-yl)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.