11K-902
TL;DR: 11K-902 (CAS 303148-11-0) is a chemical compound with molecular formula C20H13ClN4O3 and molecular weight 392.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-(4-chlorophenyl)-3,5-dicyano-6-methyl-2-pyridinyl]-1,2-oxazole-3-carboxylate
Also Known As: 11K-902, ethyl 4-[4-(4-chlorophenyl)-3,5-dicyano-6-methyl-2-pyridinyl]-3-isoxazolecarboxylate, ethyl 4-[4-(4-chlorophenyl)-3,5-dicyano-6-methylpyridin-2-yl]-1,2-oxazole-3-carboxylate
| Molecular Formula | C20H13ClN4O3 |
|---|---|
| Molecular Weight | 392.07 g/mol |
| LogP | 4.28548 |
| Topological Polar Surface Area | 112.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.06763 |
| Heavy Atoms | 28 |
| Complexity | 1137.9832 |
Chemical Identifiers
| CAS Number | 303148-11-0 |
|---|---|
| SMILES | CCOC(=O)C1=NOC=C1C2=NC(=C(C(=C2C#N)C3=CC=C(C=C3)Cl)C#N)C |
Product Overview
11K-902 (CAS 303148-11-0), with molecular formula C20H13ClN4O3 and molecular weight 392.07 g/mol. IUPAC: ethyl 4-[4-(4-chlorophenyl)-3,5-dicyano-6-methyl-2-pyridinyl]-1,2-oxazole-3-carboxylate.
Chemical Property Profile of 11K-902
Property Insights of 11K-902
The XLogP value of 4.28548 indicates that 11K-902 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 11K-902. Following Lipinski's Rule of Five, 11K-902 has 0 hydrogen bond donor(s) and 7 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 11K-902?
The CAS number of 11K-902 is 303148-11-0.
What is the molecular formula of 11K-902?
The molecular formula of 11K-902 is C20H13ClN4O3.
What is the molecular weight of 11K-902?
The molecular weight of 11K-902 is 392.07 g/mol.
Where can I buy 11K-902?
You can request a quote for 11K-902 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11K-902?
Yes, KEHONG BIO provides custom synthesis services for 11K-902 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.