1H-1,3-benzodiazole-5-carbaldehyde
TL;DR: 1H-1,3-benzodiazole-5-carbaldehyde (CAS 58442-17-4) 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.
3H-benzimidazole-5-carbaldehyde
Also Known As: 1H-Benzimidazole-5-carbaldehyde, 1H-Benzimidazole-5-carboxaldehyde, null, benzimidazole-5-aldehyde, 3H-benzimidazole-5-carbaldehyde
| Molecular Formula | C8H6N2O |
|---|---|
| Molecular Weight | 146.05 g/mol |
| LogP | 1.3754 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 146.04802 |
| Heavy Atoms | 11 |
| Complexity | 391.64633 |
Chemical Identifiers
| CAS Number | 58442-17-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1C=O)NC=N2 |
Product Overview
1H-1,3-benzodiazole-5-carbaldehyde (CAS 58442-17-4), with molecular formula C8H6N2O and molecular weight 146.05 g/mol. IUPAC: 3H-benzimidazole-5-carbaldehyde.
Chemical Property Profile of 1H-1,3-benzodiazole-5-carbaldehyde
Property Insights of 1H-1,3-benzodiazole-5-carbaldehyde
The XLogP value of 1.3754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,3-benzodiazole-5-carbaldehyde. With a topological polar surface area (TPSA) of 45.75 Ų, 1H-1,3-benzodiazole-5-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,3-benzodiazole-5-carbaldehyde 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-1,3-benzodiazole-5-carbaldehyde?
The CAS number of 1H-1,3-benzodiazole-5-carbaldehyde is 58442-17-4.
What is the molecular formula of 1H-1,3-benzodiazole-5-carbaldehyde?
The molecular formula of 1H-1,3-benzodiazole-5-carbaldehyde is C8H6N2O.
What is the molecular weight of 1H-1,3-benzodiazole-5-carbaldehyde?
The molecular weight of 1H-1,3-benzodiazole-5-carbaldehyde is 146.05 g/mol.
Where can I buy 1H-1,3-benzodiazole-5-carbaldehyde?
You can request a quote for 1H-1,3-benzodiazole-5-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,3-benzodiazole-5-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,3-benzodiazole-5-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.