N-2-Ethylhexylbicycloheptenedicarboximide
TL;DR: N-2-Ethylhexylbicycloheptenedicarboximide (CAS 113-48-4) is a chemical compound with molecular formula C17H25NO2 and molecular weight 275.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-ethylhexyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: Pyrodone, zengxiaoan, Synergist 264, Pyrdone (obsolete), Sinepyrin 222
| Molecular Formula | C17H25NO2 |
|---|---|
| Molecular Weight | 275.19 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 275.18854 |
| Heavy Atoms | 20 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 113-48-4 |
|---|---|
| SMILES | CCCCC(CC)CN1C(=O)C2C3CC(C2C1=O)C=C3 |
| InChIKey | WLLGXSLBOPFWQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-2-Ethylhexylbicycloheptenedicarboximide (CAS 113-48-4), with molecular formula C17H25NO2 and molecular weight 275.19 g/mol. IUPAC: 4-(2-ethylhexyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of N-2-Ethylhexylbicycloheptenedicarboximide
Property Insights of N-2-Ethylhexylbicycloheptenedicarboximide
The XLogP value of 3.4 indicates that N-2-Ethylhexylbicycloheptenedicarboximide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, N-2-Ethylhexylbicycloheptenedicarboximide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-2-Ethylhexylbicycloheptenedicarboximide 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 N-2-Ethylhexylbicycloheptenedicarboximide?
The CAS number of N-2-Ethylhexylbicycloheptenedicarboximide is 113-48-4.
What is the molecular formula of N-2-Ethylhexylbicycloheptenedicarboximide?
The molecular formula of N-2-Ethylhexylbicycloheptenedicarboximide is C17H25NO2.
What is the molecular weight of N-2-Ethylhexylbicycloheptenedicarboximide?
The molecular weight of N-2-Ethylhexylbicycloheptenedicarboximide is 275.19 g/mol.
Where can I buy N-2-Ethylhexylbicycloheptenedicarboximide?
You can request a quote for N-2-Ethylhexylbicycloheptenedicarboximide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-2-Ethylhexylbicycloheptenedicarboximide?
Yes, KEHONG BIO provides custom synthesis services for N-2-Ethylhexylbicycloheptenedicarboximide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.