2-(Chloromethyl)-2,3-dihydro-S-triazolo(4,3-A)pyridin-3-one
TL;DR: 2-(Chloromethyl)-2,3-dihydro-S-triazolo(4,3-A)pyridin-3-one (CAS 58333-27-0) is a chemical compound with molecular formula C7H6ClN3O and molecular weight 183.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
Also Known As: 2-(Chloromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one, 2-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one, 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one, 2-(chloromethyl)-, 1,2,4-triazolo[4,3-a]pyridin-3(2h)-one,2-(chloromethyl)-, 2-(Chloromethyl)-2,3-dihydro-S-triazolo(4,3-A)pyridin-3-one
| Molecular Formula | C7H6ClN3O |
|---|---|
| Molecular Weight | 183.02 g/mol |
| LogP | 0.6923 |
| Topological Polar Surface Area | 39.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.01994 |
| Heavy Atoms | 12 |
| Complexity | 458.8646 |
Chemical Identifiers
| CAS Number | 58333-27-0 |
|---|---|
| SMILES | C1=CC2=NN(C(=O)N2C=C1)CCl |
Product Overview
2-(Chloromethyl)-2,3-dihydro-S-triazolo(4,3-A)pyridin-3-one (CAS 58333-27-0), with molecular formula C7H6ClN3O and molecular weight 183.02 g/mol. IUPAC: 2-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
Chemical Property Profile of 2-(Chloromethyl)-2,3-dihydro-S-triazolo(4,3-A)pyridin-3-one
Property Insights of 2-(Chloromethyl)-2,3-dihydro-S-triazolo(4,3-A)pyridin-3-one
The XLogP value of 0.6923 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Chloromethyl)-2,3-dihydro-S-triazolo(4,3-A)pyridin-3-one. With a topological polar surface area (TPSA) of 39.3 Ų, 2-(Chloromethyl)-2,3-dihydro-S-triazolo(4,3-A)pyridin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Chloromethyl)-2,3-dihydro-S-triazolo(4,3-A)pyridin-3-one has 0 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 2-(Chloromethyl)-2,3-dihydro-S-triazolo(4,3-A)pyridin-3-one?
The CAS number of 2-(Chloromethyl)-2,3-dihydro-S-triazolo(4,3-A)pyridin-3-one is 58333-27-0.
What is the molecular formula of 2-(Chloromethyl)-2,3-dihydro-S-triazolo(4,3-A)pyridin-3-one?
The molecular formula of 2-(Chloromethyl)-2,3-dihydro-S-triazolo(4,3-A)pyridin-3-one is C7H6ClN3O.
What is the molecular weight of 2-(Chloromethyl)-2,3-dihydro-S-triazolo(4,3-A)pyridin-3-one?
The molecular weight of 2-(Chloromethyl)-2,3-dihydro-S-triazolo(4,3-A)pyridin-3-one is 183.02 g/mol.
Where can I buy 2-(Chloromethyl)-2,3-dihydro-S-triazolo(4,3-A)pyridin-3-one?
You can request a quote for 2-(Chloromethyl)-2,3-dihydro-S-triazolo(4,3-A)pyridin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Chloromethyl)-2,3-dihydro-S-triazolo(4,3-A)pyridin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(Chloromethyl)-2,3-dihydro-S-triazolo(4,3-A)pyridin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.