(5s,6s)-6-Hydroxy-2,2,7,7-tetramethyl-5-(1h-1,2,4-triazol-1-yl)octan-3-one
TL;DR: (5s,6s)-6-Hydroxy-2,2,7,7-tetramethyl-5-(1h-1,2,4-triazol-1-yl)octan-3-one (CAS 71411-80-8) is a chemical compound with molecular formula C14H25N3O2 and molecular weight 267.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,6S)-6-hydroxy-2,2,7,7-tetramethyl-5-(1,2,4-triazol-1-yl)octan-3-one
Also Known As: KST-1A7755, PP 969, (5s,6s)-6-hydroxy-2,2,7,7-tetramethyl-5-(1h-1,2,4-triazol-1-yl)octan-3-one, 7-Aminonaphthalene-1,3-disulphonic acid, sodium salt, 3-Octanone, 6-hydroxy-2,2,7,7-tetramethyl-5-(1H-1,2,4-triazol-1-yl)-, (5R,6R)-rel-
| Molecular Formula | C14H25N3O2 |
|---|---|
| Molecular Weight | 267.19 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 68.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 267.19467 |
| Heavy Atoms | 19 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 71411-80-8 |
|---|---|
| SMILES | CC(C)(C)[C@@H]([C@H](CC(=O)C(C)(C)C)N1C=NC=N1)O |
| InChIKey | QYOXAEWIVYMSGJ-CMPLNLGQSA-N |
Product Overview
(5s,6s)-6-Hydroxy-2,2,7,7-tetramethyl-5-(1h-1,2,4-triazol-1-yl)octan-3-one (CAS 71411-80-8), with molecular formula C14H25N3O2 and molecular weight 267.19 g/mol. IUPAC: (5S,6S)-6-hydroxy-2,2,7,7-tetramethyl-5-(1,2,4-triazol-1-yl)octan-3-one.
Chemical Property Profile of (5s,6s)-6-Hydroxy-2,2,7,7-tetramethyl-5-(1h-1,2,4-triazol-1-yl)octan-3-one
Property Insights of (5s,6s)-6-Hydroxy-2,2,7,7-tetramethyl-5-(1h-1,2,4-triazol-1-yl)octan-3-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5s,6s)-6-Hydroxy-2,2,7,7-tetramethyl-5-(1h-1,2,4-triazol-1-yl)octan-3-one. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5s,6s)-6-Hydroxy-2,2,7,7-tetramethyl-5-(1h-1,2,4-triazol-1-yl)octan-3-one. Following Lipinski's Rule of Five, (5s,6s)-6-Hydroxy-2,2,7,7-tetramethyl-5-(1h-1,2,4-triazol-1-yl)octan-3-one has 1 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 (5s,6s)-6-Hydroxy-2,2,7,7-tetramethyl-5-(1h-1,2,4-triazol-1-yl)octan-3-one?
The CAS number of (5s,6s)-6-Hydroxy-2,2,7,7-tetramethyl-5-(1h-1,2,4-triazol-1-yl)octan-3-one is 71411-80-8.
What is the molecular formula of (5s,6s)-6-Hydroxy-2,2,7,7-tetramethyl-5-(1h-1,2,4-triazol-1-yl)octan-3-one?
The molecular formula of (5s,6s)-6-Hydroxy-2,2,7,7-tetramethyl-5-(1h-1,2,4-triazol-1-yl)octan-3-one is C14H25N3O2.
What is the molecular weight of (5s,6s)-6-Hydroxy-2,2,7,7-tetramethyl-5-(1h-1,2,4-triazol-1-yl)octan-3-one?
The molecular weight of (5s,6s)-6-Hydroxy-2,2,7,7-tetramethyl-5-(1h-1,2,4-triazol-1-yl)octan-3-one is 267.19 g/mol.
Where can I buy (5s,6s)-6-Hydroxy-2,2,7,7-tetramethyl-5-(1h-1,2,4-triazol-1-yl)octan-3-one?
You can request a quote for (5s,6s)-6-Hydroxy-2,2,7,7-tetramethyl-5-(1h-1,2,4-triazol-1-yl)octan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5s,6s)-6-Hydroxy-2,2,7,7-tetramethyl-5-(1h-1,2,4-triazol-1-yl)octan-3-one?
Yes, KEHONG BIO provides custom synthesis services for (5s,6s)-6-Hydroxy-2,2,7,7-tetramethyl-5-(1h-1,2,4-triazol-1-yl)octan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.