11J-901
TL;DR: 11J-901 (CAS 400076-14-4) is a chemical compound with molecular formula C12H6ClF3N4O2 and molecular weight 330.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-cyano-5-methyl-1,2-oxazole-4-carboxamide
Also Known As: 11J-901, N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-cyano-5-methyl-4-isoxazolecarboxamide, N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-cyano-5-methyl-1,2-oxazole-4-carboxamide
| Molecular Formula | C12H6ClF3N4O2 |
|---|---|
| Molecular Weight | 330.01 g/mol |
| LogP | 3.1742 |
| Topological Polar Surface Area | 91.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.01312 |
| Heavy Atoms | 22 |
| Complexity | 779.6542 |
Chemical Identifiers
| CAS Number | 400076-14-4 |
|---|---|
| SMILES | CC1=C(C(=NO1)C#N)C(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
11J-901 (CAS 400076-14-4), with molecular formula C12H6ClF3N4O2 and molecular weight 330.01 g/mol. IUPAC: N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-cyano-5-methyl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of 11J-901
Property Insights of 11J-901
The XLogP value of 3.1742 indicates that 11J-901 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 11J-901. Following Lipinski's Rule of Five, 11J-901 has 1 hydrogen bond donor(s) and 5 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 11J-901?
The CAS number of 11J-901 is 400076-14-4.
What is the molecular formula of 11J-901?
The molecular formula of 11J-901 is C12H6ClF3N4O2.
What is the molecular weight of 11J-901?
The molecular weight of 11J-901 is 330.01 g/mol.
Where can I buy 11J-901?
You can request a quote for 11J-901 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11J-901?
Yes, KEHONG BIO provides custom synthesis services for 11J-901 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.