ChemDiv1_008196
TL;DR: ChemDiv1_008196 (CAS 403695-36-3) is a chemical compound with molecular formula C17H16N2O4 and molecular weight 312.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methyl-2-nitrophenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
Also Known As: ChemDiv1_008196, DivK1c_002836, CDS1_001796, BIM-0019894.P001, AH-487/34807020
| Molecular Formula | C17H16N2O4 |
|---|---|
| Molecular Weight | 312.11 g/mol |
| LogP | 2.60482 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.111 |
| Heavy Atoms | 23 |
| Complexity | 737.85693 |
Chemical Identifiers
| CAS Number | 403695-36-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=O)C3C4CCC(C3C2=O)C=C4)[N+](=O)[O-] |
Product Overview
ChemDiv1_008196 (CAS 403695-36-3), with molecular formula C17H16N2O4 and molecular weight 312.11 g/mol. IUPAC: 4-(4-methyl-2-nitrophenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione.
Chemical Property Profile of ChemDiv1_008196
Property Insights of ChemDiv1_008196
The XLogP value of 2.60482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_008196. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008196. Following Lipinski's Rule of Five, ChemDiv1_008196 has 0 hydrogen bond donor(s) and 4 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 ChemDiv1_008196?
The CAS number of ChemDiv1_008196 is 403695-36-3.
What is the molecular formula of ChemDiv1_008196?
The molecular formula of ChemDiv1_008196 is C17H16N2O4.
What is the molecular weight of ChemDiv1_008196?
The molecular weight of ChemDiv1_008196 is 312.11 g/mol.
Where can I buy ChemDiv1_008196?
You can request a quote for ChemDiv1_008196 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008196?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008196 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.