Indeno(1,2-d)triazol-8(3H)-one, 3-butyl-3a,8a-dihydro-
TL;DR: Indeno(1,2-d)triazol-8(3H)-one, 3-butyl-3a,8a-dihydro- (CAS 55507-31-8) is a chemical compound with molecular formula C13H15N3O and molecular weight 229.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3a,8b-dihydroindeno[1,2-d]triazol-4-one
Also Known As: Indeno(1,2-d)triazol-8(3H)-one, 3-butyl-3a,8a-dihydro-, 1-butyl-3a,8b-dihydroindeno[1,2-d]triazol-4-one, Indeno[1,2-d]triazol-8(3H)-one,3-butyl-3a,8a-dihydro-, 3-Butyl-3a,8a-dihydroindeno[1,2-d][1,2,3]triazol-8(3H)-one
| Molecular Formula | C13H15N3O |
|---|---|
| Molecular Weight | 229.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 45.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.1215 |
| Heavy Atoms | 17 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 55507-31-8 |
|---|---|
| SMILES | CCCCN1C2C(C(=O)C3=CC=CC=C23)N=N1 |
| InChIKey | BYHFKYCBBMIQIJ-UHFFFAOYSA-N |
Product Overview
Indeno(1,2-d)triazol-8(3H)-one, 3-butyl-3a,8a-dihydro- (CAS 55507-31-8), with molecular formula C13H15N3O and molecular weight 229.12 g/mol. IUPAC: 1-butyl-3a,8b-dihydroindeno[1,2-d]triazol-4-one.
Chemical Property Profile of Indeno(1,2-d)triazol-8(3H)-one, 3-butyl-3a,8a-dihydro-
Property Insights of Indeno(1,2-d)triazol-8(3H)-one, 3-butyl-3a,8a-dihydro-
The XLogP value of 3.2 indicates that Indeno(1,2-d)triazol-8(3H)-one, 3-butyl-3a,8a-dihydro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.0 Ų, Indeno(1,2-d)triazol-8(3H)-one, 3-butyl-3a,8a-dihydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indeno(1,2-d)triazol-8(3H)-one, 3-butyl-3a,8a-dihydro- has 0 hydrogen bond donor(s) and 4 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 Indeno(1,2-d)triazol-8(3H)-one, 3-butyl-3a,8a-dihydro-?
The CAS number of Indeno(1,2-d)triazol-8(3H)-one, 3-butyl-3a,8a-dihydro- is 55507-31-8.
What is the molecular formula of Indeno(1,2-d)triazol-8(3H)-one, 3-butyl-3a,8a-dihydro-?
The molecular formula of Indeno(1,2-d)triazol-8(3H)-one, 3-butyl-3a,8a-dihydro- is C13H15N3O.
What is the molecular weight of Indeno(1,2-d)triazol-8(3H)-one, 3-butyl-3a,8a-dihydro-?
The molecular weight of Indeno(1,2-d)triazol-8(3H)-one, 3-butyl-3a,8a-dihydro- is 229.12 g/mol.
Where can I buy Indeno(1,2-d)triazol-8(3H)-one, 3-butyl-3a,8a-dihydro-?
You can request a quote for Indeno(1,2-d)triazol-8(3H)-one, 3-butyl-3a,8a-dihydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indeno(1,2-d)triazol-8(3H)-one, 3-butyl-3a,8a-dihydro-?
Yes, KEHONG BIO provides custom synthesis services for Indeno(1,2-d)triazol-8(3H)-one, 3-butyl-3a,8a-dihydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.