1-(N-Benzyl-N-butanoyl)amino-6-(2-cyanoethyl)cyclohexene
TL;DR: 1-(N-Benzyl-N-butanoyl)amino-6-(2-cyanoethyl)cyclohexene (CAS 85019-63-2) is a chemical compound with molecular formula C20H26N2O and molecular weight 310.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-N-[6-(2-cyanoethyl)cyclohexen-1-yl]butanamide
Also Known As: 1-(N-Benzyl-N-butanoyl)amino-6-(2-cyanoethyl)cyclohexene, 1-(N-Benzyl-N-butanoyl)amino-6-(2-cycnoethyl)cyclohexene, N-benzyl-N-[6-(2-cyanoethyl)cyclohexen-1-yl]butanamide, N-Benzyl-N-[6-(2-cyanoethyl)cyclohex-1-en-1-yl]butanamide
| Molecular Formula | C20H26N2O |
|---|---|
| Molecular Weight | 310.20 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 310.2045 |
| Heavy Atoms | 23 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 85019-63-2 |
|---|---|
| SMILES | CCCC(=O)N(CC1=CC=CC=C1)C2=CCCCC2CCC#N |
| InChIKey | NPUTWCIUHVADOH-UHFFFAOYSA-N |
Product Overview
1-(N-Benzyl-N-butanoyl)amino-6-(2-cyanoethyl)cyclohexene (CAS 85019-63-2), with molecular formula C20H26N2O and molecular weight 310.20 g/mol. IUPAC: N-benzyl-N-[6-(2-cyanoethyl)cyclohexen-1-yl]butanamide.
Chemical Property Profile of 1-(N-Benzyl-N-butanoyl)amino-6-(2-cyanoethyl)cyclohexene
Property Insights of 1-(N-Benzyl-N-butanoyl)amino-6-(2-cyanoethyl)cyclohexene
The XLogP value of 3.5 indicates that 1-(N-Benzyl-N-butanoyl)amino-6-(2-cyanoethyl)cyclohexene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, 1-(N-Benzyl-N-butanoyl)amino-6-(2-cyanoethyl)cyclohexene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(N-Benzyl-N-butanoyl)amino-6-(2-cyanoethyl)cyclohexene 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 1-(N-Benzyl-N-butanoyl)amino-6-(2-cyanoethyl)cyclohexene?
The CAS number of 1-(N-Benzyl-N-butanoyl)amino-6-(2-cyanoethyl)cyclohexene is 85019-63-2.
What is the molecular formula of 1-(N-Benzyl-N-butanoyl)amino-6-(2-cyanoethyl)cyclohexene?
The molecular formula of 1-(N-Benzyl-N-butanoyl)amino-6-(2-cyanoethyl)cyclohexene is C20H26N2O.
What is the molecular weight of 1-(N-Benzyl-N-butanoyl)amino-6-(2-cyanoethyl)cyclohexene?
The molecular weight of 1-(N-Benzyl-N-butanoyl)amino-6-(2-cyanoethyl)cyclohexene is 310.20 g/mol.
Where can I buy 1-(N-Benzyl-N-butanoyl)amino-6-(2-cyanoethyl)cyclohexene?
You can request a quote for 1-(N-Benzyl-N-butanoyl)amino-6-(2-cyanoethyl)cyclohexene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(N-Benzyl-N-butanoyl)amino-6-(2-cyanoethyl)cyclohexene?
Yes, KEHONG BIO provides custom synthesis services for 1-(N-Benzyl-N-butanoyl)amino-6-(2-cyanoethyl)cyclohexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.