4-乙基-4-甲酰基己腈
TL;DR: 4-乙基-4-甲酰基己腈 (CAS 2938-69-4) is a chemical compound with molecular formula C9H15NO and molecular weight 153.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-乙基-4-甲酰基己腈
4-ethyl-4-formylhexanenitrile
Also Known As: 4-Ethyl-4-formylhexanenitrile, Hexanenitrile, 4-ethyl-4-formyl-, 4-CYANO-2,2-DIETHYLBUTYRALDEHYDE, NCIOpen2_000404, 4-cyano-2,2-diethylbutanal
| Molecular Formula | C9H15NO |
|---|---|
| Molecular Weight | 153.12 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 153.11537 |
| Heavy Atoms | 11 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 2938-69-4 |
|---|---|
| SMILES | CCC(CC)(CCC#N)C=O |
| InChIKey | AMUXIQHQXOKMTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-乙基-4-甲酰基己腈 (CAS 2938-69-4), with molecular formula C9H15NO and molecular weight 153.12 g/mol. IUPAC: 4-ethyl-4-formylhexanenitrile.
Chemical Property Profile of 4-乙基-4-甲酰基己腈
Property Insights of 4-乙基-4-甲酰基己腈
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-乙基-4-甲酰基己腈. With a topological polar surface area (TPSA) of 40.9 Ų, 4-乙基-4-甲酰基己腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-乙基-4-甲酰基己腈 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 4-乙基-4-甲酰基己腈?
The CAS number of 4-乙基-4-甲酰基己腈 is 2938-69-4.
What is the molecular formula of 4-乙基-4-甲酰基己腈?
The molecular formula of 4-乙基-4-甲酰基己腈 is C9H15NO.
What is the molecular weight of 4-乙基-4-甲酰基己腈?
The molecular weight of 4-乙基-4-甲酰基己腈 is 153.12 g/mol.
Where can I buy 4-乙基-4-甲酰基己腈?
You can request a quote for 4-乙基-4-甲酰基己腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-乙基-4-甲酰基己腈?
Yes, KEHONG BIO provides custom synthesis services for 4-乙基-4-甲酰基己腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.