戊酰氰
TL;DR: 戊酰氰 (CAS 38576-59-9) is a chemical compound with molecular formula C6H9NO and molecular weight 111.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
戊酰氰
pentanoyl cyanide
Also Known As: Cyanopentanone, pentanoyl cyanide, 2-oxo-hexanenitrile
| Molecular Formula | C6H9NO |
|---|---|
| Molecular Weight | 111.07 g/mol |
| LogP | 1.26928 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 111.06841 |
| Heavy Atoms | 8 |
| Complexity | 112.187164 |
Chemical Identifiers
| CAS Number | 38576-59-9 |
|---|---|
| SMILES | CCCCC(=O)C#N |
Product Overview
戊酰氰 (CAS 38576-59-9), with molecular formula C6H9NO and molecular weight 111.07 g/mol. IUPAC: pentanoyl cyanide.
Chemical Property Profile of 戊酰氰
Property Insights of 戊酰氰
The XLogP value of 1.26928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 戊酰氰. With a topological polar surface area (TPSA) of 40.86 Ų, 戊酰氰 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 戊酰氰 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 戊酰氰?
The CAS number of 戊酰氰 is 38576-59-9.
What is the molecular formula of 戊酰氰?
The molecular formula of 戊酰氰 is C6H9NO.
What is the molecular weight of 戊酰氰?
The molecular weight of 戊酰氰 is 111.07 g/mol.
Where can I buy 戊酰氰?
You can request a quote for 戊酰氰 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 戊酰氰?
Yes, KEHONG BIO provides custom synthesis services for 戊酰氰 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.