ChemDiv1_001381
TL;DR: ChemDiv1_001381 (CAS 358731-44-9) is a chemical compound with molecular formula C17H16N2O5 and molecular weight 328.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxy-2-nitrophenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
Also Known As: ChemDiv1_001381, 4-{2-nitro-4-methoxyphenyl}-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione, A1474/0065051, 2-(4-methoxy-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione, 2-(4-methoxy-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3-dione
| Molecular Formula | C17H16N2O5 |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | 2.305 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.10593 |
| Heavy Atoms | 24 |
| Complexity | 755.1856 |
Chemical Identifiers
| CAS Number | 358731-44-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)N2C(=O)C3C4CCC(C3C2=O)C=C4)[N+](=O)[O-] |
Product Overview
ChemDiv1_001381 (CAS 358731-44-9), with molecular formula C17H16N2O5 and molecular weight 328.11 g/mol. IUPAC: 4-(4-methoxy-2-nitrophenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione.
Chemical Property Profile of ChemDiv1_001381
Property Insights of ChemDiv1_001381
The XLogP value of 2.305 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_001381. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001381. Following Lipinski's Rule of Five, ChemDiv1_001381 has 0 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 ChemDiv1_001381?
The CAS number of ChemDiv1_001381 is 358731-44-9.
What is the molecular formula of ChemDiv1_001381?
The molecular formula of ChemDiv1_001381 is C17H16N2O5.
What is the molecular weight of ChemDiv1_001381?
The molecular weight of ChemDiv1_001381 is 328.11 g/mol.
Where can I buy ChemDiv1_001381?
You can request a quote for ChemDiv1_001381 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001381?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001381 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.