2-(1H-1,2,4-triazol-1-ylmethyl)cyclohexanone
TL;DR: 2-(1H-1,2,4-triazol-1-ylmethyl)cyclohexanone (CAS 313492-86-3) is a chemical compound with molecular formula C9H13N3O and molecular weight 179.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,2,4-triazol-1-ylmethyl)cyclohexan-1-one
Also Known As: 2-(1H-1,2,4-triazol-1-ylmethyl)cyclohexanone, 2-Methoxy-1-naphthaldehyde, 2-((1H-1,2,4-Triazol-1-yl)methyl)cyclohexanone, 2-(1,2,4-triazol-1-ylmethyl)cyclohexan-1-one, 9922AD
| Molecular Formula | C9H13N3O |
|---|---|
| Molecular Weight | 179.11 g/mol |
| LogP | 1.0374 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.10587 |
| Heavy Atoms | 13 |
| Complexity | 281.05972 |
Chemical Identifiers
| CAS Number | 313492-86-3 |
|---|---|
| SMILES | C1CCC(=O)C(C1)CN2C=NC=N2 |
Product Overview
2-(1H-1,2,4-triazol-1-ylmethyl)cyclohexanone (CAS 313492-86-3), with molecular formula C9H13N3O and molecular weight 179.11 g/mol. IUPAC: 2-(1,2,4-triazol-1-ylmethyl)cyclohexan-1-one.
Chemical Property Profile of 2-(1H-1,2,4-triazol-1-ylmethyl)cyclohexanone
Property Insights of 2-(1H-1,2,4-triazol-1-ylmethyl)cyclohexanone
The XLogP value of 1.0374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-1,2,4-triazol-1-ylmethyl)cyclohexanone. With a topological polar surface area (TPSA) of 47.78 Ų, 2-(1H-1,2,4-triazol-1-ylmethyl)cyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-1,2,4-triazol-1-ylmethyl)cyclohexanone 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 2-(1H-1,2,4-triazol-1-ylmethyl)cyclohexanone?
The CAS number of 2-(1H-1,2,4-triazol-1-ylmethyl)cyclohexanone is 313492-86-3.
What is the molecular formula of 2-(1H-1,2,4-triazol-1-ylmethyl)cyclohexanone?
The molecular formula of 2-(1H-1,2,4-triazol-1-ylmethyl)cyclohexanone is C9H13N3O.
What is the molecular weight of 2-(1H-1,2,4-triazol-1-ylmethyl)cyclohexanone?
The molecular weight of 2-(1H-1,2,4-triazol-1-ylmethyl)cyclohexanone is 179.11 g/mol.
Where can I buy 2-(1H-1,2,4-triazol-1-ylmethyl)cyclohexanone?
You can request a quote for 2-(1H-1,2,4-triazol-1-ylmethyl)cyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-1,2,4-triazol-1-ylmethyl)cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-1,2,4-triazol-1-ylmethyl)cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.