2-(1H-1,2,4-triazol-1-ylmethyl)-3,4-dihydronaphthalen-1(2H)-one
TL;DR: 2-(1H-1,2,4-triazol-1-ylmethyl)-3,4-dihydronaphthalen-1(2H)-one (CAS 95987-35-2) is a chemical compound with molecular formula C13H13N3O and molecular weight 227.11 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)-3,4-dihydro-2H-naphthalen-1-one
Also Known As: 2-(1H-1,2,4-triazol-1-ylmethyl)-3,4-dihydronaphthalen-1(2H)-one, 2-(1,2,4-triazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one, 2-((1H-1,2,4-Triazol-1-yl)methyl)-3,4-dihydronaphthalen-1(2H)-one, 2-[(1H-1,2,4-triazol-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-one
| Molecular Formula | C13H13N3O |
|---|---|
| Molecular Weight | 227.11 g/mol |
| LogP | 1.7234 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.10587 |
| Heavy Atoms | 17 |
| Complexity | 533.3574 |
Chemical Identifiers
| CAS Number | 95987-35-2 |
|---|---|
| SMILES | C1CC2=CC=CC=C2C(=O)C1CN3C=NC=N3 |
Product Overview
2-(1H-1,2,4-triazol-1-ylmethyl)-3,4-dihydronaphthalen-1(2H)-one (CAS 95987-35-2), with molecular formula C13H13N3O and molecular weight 227.11 g/mol. IUPAC: 2-(1,2,4-triazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one.
Chemical Property Profile of 2-(1H-1,2,4-triazol-1-ylmethyl)-3,4-dihydronaphthalen-1(2H)-one
Property Insights of 2-(1H-1,2,4-triazol-1-ylmethyl)-3,4-dihydronaphthalen-1(2H)-one
The XLogP value of 1.7234 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-1,2,4-triazol-1-ylmethyl)-3,4-dihydronaphthalen-1(2H)-one. With a topological polar surface area (TPSA) of 47.78 Ų, 2-(1H-1,2,4-triazol-1-ylmethyl)-3,4-dihydronaphthalen-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-1,2,4-triazol-1-ylmethyl)-3,4-dihydronaphthalen-1(2H)-one 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)-3,4-dihydronaphthalen-1(2H)-one?
The CAS number of 2-(1H-1,2,4-triazol-1-ylmethyl)-3,4-dihydronaphthalen-1(2H)-one is 95987-35-2.
What is the molecular formula of 2-(1H-1,2,4-triazol-1-ylmethyl)-3,4-dihydronaphthalen-1(2H)-one?
The molecular formula of 2-(1H-1,2,4-triazol-1-ylmethyl)-3,4-dihydronaphthalen-1(2H)-one is C13H13N3O.
What is the molecular weight of 2-(1H-1,2,4-triazol-1-ylmethyl)-3,4-dihydronaphthalen-1(2H)-one?
The molecular weight of 2-(1H-1,2,4-triazol-1-ylmethyl)-3,4-dihydronaphthalen-1(2H)-one is 227.11 g/mol.
Where can I buy 2-(1H-1,2,4-triazol-1-ylmethyl)-3,4-dihydronaphthalen-1(2H)-one?
You can request a quote for 2-(1H-1,2,4-triazol-1-ylmethyl)-3,4-dihydronaphthalen-1(2H)-one 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)-3,4-dihydronaphthalen-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-1,2,4-triazol-1-ylmethyl)-3,4-dihydronaphthalen-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.