![4-[5-(1-Adamantyl)triazol-1-yl]benzaldehyde structure](/static/products/6864/68641-05-4.webp)
4-[5-(1-Adamantyl)triazol-1-yl]benzaldehyde
TL;DR: 4-[5-(1-Adamantyl)triazol-1-yl]benzaldehyde (CAS 68641-05-4) is a chemical compound with molecular formula C19H21N3O and molecular weight 307.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(1-adamantyl)triazol-1-yl]benzaldehyde
Also Known As: 4-[5-(1-adamantyl)triazol-1-yl]benzaldehyde, AB00709212-01, 4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]benzaldehyde
| Molecular Formula | C19H21N3O |
|---|---|
| Molecular Weight | 307.17 g/mol |
| LogP | 3.5476 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.16846 |
| Heavy Atoms | 23 |
| Complexity | 710.9459 |
Chemical Identifiers
| CAS Number | 68641-05-4 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=CN=NN4C5=CC=C(C=C5)C=O |
Product Overview
4-[5-(1-Adamantyl)triazol-1-yl]benzaldehyde (CAS 68641-05-4), with molecular formula C19H21N3O and molecular weight 307.17 g/mol. IUPAC: 4-[5-(1-adamantyl)triazol-1-yl]benzaldehyde.
Chemical Property Profile of 4-[5-(1-Adamantyl)triazol-1-yl]benzaldehyde
Property Insights of 4-[5-(1-Adamantyl)triazol-1-yl]benzaldehyde
The XLogP value of 3.5476 indicates that 4-[5-(1-Adamantyl)triazol-1-yl]benzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, 4-[5-(1-Adamantyl)triazol-1-yl]benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[5-(1-Adamantyl)triazol-1-yl]benzaldehyde has 0 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 4-[5-(1-Adamantyl)triazol-1-yl]benzaldehyde?
The CAS number of 4-[5-(1-Adamantyl)triazol-1-yl]benzaldehyde is 68641-05-4.
What is the molecular formula of 4-[5-(1-Adamantyl)triazol-1-yl]benzaldehyde?
The molecular formula of 4-[5-(1-Adamantyl)triazol-1-yl]benzaldehyde is C19H21N3O.
What is the molecular weight of 4-[5-(1-Adamantyl)triazol-1-yl]benzaldehyde?
The molecular weight of 4-[5-(1-Adamantyl)triazol-1-yl]benzaldehyde is 307.17 g/mol.
Where can I buy 4-[5-(1-Adamantyl)triazol-1-yl]benzaldehyde?
You can request a quote for 4-[5-(1-Adamantyl)triazol-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-[5-(1-Adamantyl)triazol-1-yl]benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-[5-(1-Adamantyl)triazol-1-yl]benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.