ChemDiv1_017594
TL;DR: ChemDiv1_017594 (CAS 444336-79-2) is a chemical compound with molecular formula C20H23NO2 and molecular weight 309.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-phenyl-7-propan-2-yl-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
Also Known As: ChemDiv1_017594, VU0085165-2, 4-isopropyl-7-methyl-2-phenyl-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione, F0913-5465, 1-isopropyl-7-methyl-4-phenyl-4-azatricyclo[5.2.2.0(2),]undec-8-ene-3,5-dione
| Molecular Formula | C20H23NO2 |
|---|---|
| Molecular Weight | 309.17 g/mol |
| LogP | 3.8045 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.17288 |
| Heavy Atoms | 23 |
| Complexity | 707.6117 |
Chemical Identifiers
| CAS Number | 444336-79-2 |
|---|---|
| SMILES | CC(C)C12CCC(C=C1)(C3C2C(=O)N(C3=O)C4=CC=CC=C4)C |
Product Overview
ChemDiv1_017594 (CAS 444336-79-2), with molecular formula C20H23NO2 and molecular weight 309.17 g/mol. IUPAC: 1-methyl-4-phenyl-7-propan-2-yl-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione.
Chemical Property Profile of ChemDiv1_017594
Property Insights of ChemDiv1_017594
The XLogP value of 3.8045 indicates that ChemDiv1_017594 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, ChemDiv1_017594 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_017594 has 0 hydrogen bond donor(s) and 2 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_017594?
The CAS number of ChemDiv1_017594 is 444336-79-2.
What is the molecular formula of ChemDiv1_017594?
The molecular formula of ChemDiv1_017594 is C20H23NO2.
What is the molecular weight of ChemDiv1_017594?
The molecular weight of ChemDiv1_017594 is 309.17 g/mol.
Where can I buy ChemDiv1_017594?
You can request a quote for ChemDiv1_017594 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017594?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017594 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.