5,6,7,8-Tetrahydrotrazodone
TL;DR: 5,6,7,8-Tetrahydrotrazodone (CAS 86227-20-5) is a chemical compound with molecular formula C19H26ClN5O and molecular weight 375.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
Also Known As: 5,6,7,8-Tetrahydrotrazodone, 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one, 1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one, 2-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-5,6,7,8-tetrahydro-, 2-{3-[4-(3-Chlorophenyl)piperazin-1-yl]propyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one, RefChem:101107
| Molecular Formula | C19H26ClN5O |
|---|---|
| Molecular Weight | 375.18 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.1826 |
| Heavy Atoms | 26 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 86227-20-5 |
|---|---|
| SMILES | C1CCN2C(=NN(C2=O)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl)C1 |
| InChIKey | VAKWYNHUVWNXMZ-UHFFFAOYSA-N |
Product Overview
5,6,7,8-Tetrahydrotrazodone (CAS 86227-20-5), with molecular formula C19H26ClN5O and molecular weight 375.18 g/mol. IUPAC: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
Chemical Property Profile of 5,6,7,8-Tetrahydrotrazodone
Property Insights of 5,6,7,8-Tetrahydrotrazodone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6,7,8-Tetrahydrotrazodone. With a topological polar surface area (TPSA) of 42.4 Ų, 5,6,7,8-Tetrahydrotrazodone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6,7,8-Tetrahydrotrazodone 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 5,6,7,8-Tetrahydrotrazodone?
The CAS number of 5,6,7,8-Tetrahydrotrazodone is 86227-20-5.
What is the molecular formula of 5,6,7,8-Tetrahydrotrazodone?
The molecular formula of 5,6,7,8-Tetrahydrotrazodone is C19H26ClN5O.
What is the molecular weight of 5,6,7,8-Tetrahydrotrazodone?
The molecular weight of 5,6,7,8-Tetrahydrotrazodone is 375.18 g/mol.
Where can I buy 5,6,7,8-Tetrahydrotrazodone?
You can request a quote for 5,6,7,8-Tetrahydrotrazodone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6,7,8-Tetrahydrotrazodone?
Yes, KEHONG BIO provides custom synthesis services for 5,6,7,8-Tetrahydrotrazodone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.