Synepirin 500
TL;DR: Synepirin 500 (CAS 13358-11-7) is a chemical compound with molecular formula C22H35NO2 and molecular weight 345.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-ethylhexyl)-1-methyl-7-propan-2-yl-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
Also Known As: Synepirin 500, Bicyclo(2.2.2)oct-5-ene-2,3-dicarboximide, N-(2-ethylhexyl)-1-isopropyl-4-methyl-, 4,7-Ethano-1H-isoindole-1,3(2H)-dione, 2-(2-ethylhexyl)-3a,4,7,7a-tetrahydro-4-methyl-7-(1-methylethyl)-, N-(2-Ethylhexyl)-1-isopropyl-4-methylbiclyclo(2:2:2)oct-5-ene-2,3-dicarboximide, 4-(2-ethylhexyl)-1-methyl-7-propan-2-yl-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
| Molecular Formula | C22H35NO2 |
|---|---|
| Molecular Weight | 345.27 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 345.26678 |
| Heavy Atoms | 25 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 13358-11-7 |
|---|---|
| SMILES | CCCCC(CC)CN1C(=O)C2C(C1=O)C3(CCC2(C=C3)C)C(C)C |
| InChIKey | MVKYQJHRHHQPDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Synepirin 500 (CAS 13358-11-7), with molecular formula C22H35NO2 and molecular weight 345.27 g/mol. IUPAC: 4-(2-ethylhexyl)-1-methyl-7-propan-2-yl-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione.
Chemical Property Profile of Synepirin 500
Property Insights of Synepirin 500
The XLogP value of 5.8 indicates that Synepirin 500 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, Synepirin 500 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Synepirin 500 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Synepirin 500?
The CAS number of Synepirin 500 is 13358-11-7.
What is the molecular formula of Synepirin 500?
The molecular formula of Synepirin 500 is C22H35NO2.
What is the molecular weight of Synepirin 500?
The molecular weight of Synepirin 500 is 345.27 g/mol.
Where can I buy Synepirin 500?
You can request a quote for Synepirin 500 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Synepirin 500?
Yes, KEHONG BIO provides custom synthesis services for Synepirin 500 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.