3H-1,2,4-Triazol-3-one, 4-butyl-2,4-dihydro-5-(phenylmethyl)-
TL;DR: 3H-1,2,4-Triazol-3-one, 4-butyl-2,4-dihydro-5-(phenylmethyl)- (CAS 85562-84-1) is a chemical compound with molecular formula C13H17N3O and molecular weight 231.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-4-butyl-1H-1,2,4-triazol-5-one
Also Known As: 3-benzyl-4-butyl-1H-1,2,4-triazol-5-one, 3H-1,2,4-Triazol-3-one, 4-butyl-2,4-dihydro-5-(phenylmethyl)-, 5-Benzyl-4-butyl-2,4-dihydro-3H-1,2,4-triazol-3-one, 3H-1,2,4-Triazol-3-one,4-butyl-2,4-dihydro-5-(phenylmethyl)
| Molecular Formula | C13H17N3O |
|---|---|
| Molecular Weight | 231.14 g/mol |
| LogP | 1.9623 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.13716 |
| Heavy Atoms | 17 |
| Complexity | 512.9609 |
Chemical Identifiers
| CAS Number | 85562-84-1 |
|---|---|
| SMILES | CCCCN1C(=NNC1=O)CC2=CC=CC=C2 |
Product Overview
3H-1,2,4-Triazol-3-one, 4-butyl-2,4-dihydro-5-(phenylmethyl)- (CAS 85562-84-1), with molecular formula C13H17N3O and molecular weight 231.14 g/mol. IUPAC: 3-benzyl-4-butyl-1H-1,2,4-triazol-5-one.
Chemical Property Profile of 3H-1,2,4-Triazol-3-one, 4-butyl-2,4-dihydro-5-(phenylmethyl)-
Property Insights of 3H-1,2,4-Triazol-3-one, 4-butyl-2,4-dihydro-5-(phenylmethyl)-
The XLogP value of 1.9623 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,2,4-Triazol-3-one, 4-butyl-2,4-dihydro-5-(phenylmethyl)-. With a topological polar surface area (TPSA) of 50.68 Ų, 3H-1,2,4-Triazol-3-one, 4-butyl-2,4-dihydro-5-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-1,2,4-Triazol-3-one, 4-butyl-2,4-dihydro-5-(phenylmethyl)- 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 3H-1,2,4-Triazol-3-one, 4-butyl-2,4-dihydro-5-(phenylmethyl)-?
The CAS number of 3H-1,2,4-Triazol-3-one, 4-butyl-2,4-dihydro-5-(phenylmethyl)- is 85562-84-1.
What is the molecular formula of 3H-1,2,4-Triazol-3-one, 4-butyl-2,4-dihydro-5-(phenylmethyl)-?
The molecular formula of 3H-1,2,4-Triazol-3-one, 4-butyl-2,4-dihydro-5-(phenylmethyl)- is C13H17N3O.
What is the molecular weight of 3H-1,2,4-Triazol-3-one, 4-butyl-2,4-dihydro-5-(phenylmethyl)-?
The molecular weight of 3H-1,2,4-Triazol-3-one, 4-butyl-2,4-dihydro-5-(phenylmethyl)- is 231.14 g/mol.
Where can I buy 3H-1,2,4-Triazol-3-one, 4-butyl-2,4-dihydro-5-(phenylmethyl)-?
You can request a quote for 3H-1,2,4-Triazol-3-one, 4-butyl-2,4-dihydro-5-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-1,2,4-Triazol-3-one, 4-butyl-2,4-dihydro-5-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,2,4-Triazol-3-one, 4-butyl-2,4-dihydro-5-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.