3X-0883
TL;DR: 3X-0883 (CAS 865660-40-8) is a chemical compound with molecular formula C14H9ClF3N3O and molecular weight 327.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(6-chloro-3-pyridinyl)methyl]-6-methyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 3X-0883, 1-[(6-chloropyridin-3-yl)methyl]-6-methyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile, 1-[(6-chloro-3-pyridinyl)methyl]-6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile, 1-[(6-chloropyridin-3-yl)methyl]-6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile, 1-((6-Chloropyridin-3-yl)methyl)-6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C14H9ClF3N3O |
|---|---|
| Molecular Weight | 327.04 g/mol |
| LogP | 3.1439 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.03864 |
| Heavy Atoms | 22 |
| Complexity | 804.2986 |
Chemical Identifiers
| CAS Number | 865660-40-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1CC2=CN=C(C=C2)Cl)C#N)C(F)(F)F |
Product Overview
3X-0883 (CAS 865660-40-8), with molecular formula C14H9ClF3N3O and molecular weight 327.04 g/mol. IUPAC: 1-[(6-chloro-3-pyridinyl)methyl]-6-methyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 3X-0883
Property Insights of 3X-0883
The XLogP value of 3.1439 indicates that 3X-0883 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.68 Ų, 3X-0883 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3X-0883 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 3X-0883?
The CAS number of 3X-0883 is 865660-40-8.
What is the molecular formula of 3X-0883?
The molecular formula of 3X-0883 is C14H9ClF3N3O.
What is the molecular weight of 3X-0883?
The molecular weight of 3X-0883 is 327.04 g/mol.
Where can I buy 3X-0883?
You can request a quote for 3X-0883 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3X-0883?
Yes, KEHONG BIO provides custom synthesis services for 3X-0883 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.