8J-049
TL;DR: 8J-049 (CAS 339100-00-4) is a chemical compound with molecular formula C14H7ClF3N3O and molecular weight 325.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-phenylmethanone
Also Known As: 8J-049, [8-chloro-6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl](phenyl)methanone, [8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-phenylmethanone, 3-benzoyl-8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
| Molecular Formula | C14H7ClF3N3O |
|---|---|
| Molecular Weight | 325.02 g/mol |
| LogP | 3.6325 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.02298 |
| Heavy Atoms | 22 |
| Complexity | 858.89075 |
Chemical Identifiers
| CAS Number | 339100-00-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=NN=C3N2C=C(C=C3Cl)C(F)(F)F |
Product Overview
8J-049 (CAS 339100-00-4), with molecular formula C14H7ClF3N3O and molecular weight 325.02 g/mol. IUPAC: [8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-phenylmethanone.
Chemical Property Profile of 8J-049
Property Insights of 8J-049
The XLogP value of 3.6325 indicates that 8J-049 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.26 Ų, 8J-049 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8J-049 has 0 hydrogen bond donor(s) and 3 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 8J-049?
The CAS number of 8J-049 is 339100-00-4.
What is the molecular formula of 8J-049?
The molecular formula of 8J-049 is C14H7ClF3N3O.
What is the molecular weight of 8J-049?
The molecular weight of 8J-049 is 325.02 g/mol.
Where can I buy 8J-049?
You can request a quote for 8J-049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8J-049?
Yes, KEHONG BIO provides custom synthesis services for 8J-049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.