2-Cyano-2-cyclooctylidene-N-(phenylmethyl)acetamide
TL;DR: 2-Cyano-2-cyclooctylidene-N-(phenylmethyl)acetamide (CAS 588692-40-4) is a chemical compound with molecular formula C18H22N2O and molecular weight 282.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-cyano-2-cyclooctylideneacetamide
Also Known As: N-benzyl-2-cyano-2-cyclooctylideneacetamide, 2-Cyano-2-cyclooctylidene-N-(phenylmethyl)acetamide, 2-cyano-2-cyclooctylidene-N-benzylacetamide, N-benzyl-2-cyano-2-cyclooctylidene-acetamide, RefChem:259605
| Molecular Formula | C18H22N2O |
|---|---|
| Molecular Weight | 282.17 g/mol |
| LogP | 3.86728 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.17322 |
| Heavy Atoms | 21 |
| Complexity | 530.0868 |
Chemical Identifiers
| CAS Number | 588692-40-4 |
|---|---|
| SMILES | C1CCCC(=C(C#N)C(=O)NCC2=CC=CC=C2)CCC1 |
Product Overview
2-Cyano-2-cyclooctylidene-N-(phenylmethyl)acetamide (CAS 588692-40-4), with molecular formula C18H22N2O and molecular weight 282.17 g/mol. IUPAC: N-benzyl-2-cyano-2-cyclooctylideneacetamide.
Chemical Property Profile of 2-Cyano-2-cyclooctylidene-N-(phenylmethyl)acetamide
Property Insights of 2-Cyano-2-cyclooctylidene-N-(phenylmethyl)acetamide
The XLogP value of 3.86728 indicates that 2-Cyano-2-cyclooctylidene-N-(phenylmethyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 2-Cyano-2-cyclooctylidene-N-(phenylmethyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyano-2-cyclooctylidene-N-(phenylmethyl)acetamide has 1 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 2-Cyano-2-cyclooctylidene-N-(phenylmethyl)acetamide?
The CAS number of 2-Cyano-2-cyclooctylidene-N-(phenylmethyl)acetamide is 588692-40-4.
What is the molecular formula of 2-Cyano-2-cyclooctylidene-N-(phenylmethyl)acetamide?
The molecular formula of 2-Cyano-2-cyclooctylidene-N-(phenylmethyl)acetamide is C18H22N2O.
What is the molecular weight of 2-Cyano-2-cyclooctylidene-N-(phenylmethyl)acetamide?
The molecular weight of 2-Cyano-2-cyclooctylidene-N-(phenylmethyl)acetamide is 282.17 g/mol.
Where can I buy 2-Cyano-2-cyclooctylidene-N-(phenylmethyl)acetamide?
You can request a quote for 2-Cyano-2-cyclooctylidene-N-(phenylmethyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-2-cyclooctylidene-N-(phenylmethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-2-cyclooctylidene-N-(phenylmethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.