Propionitrile, 3-(2,4-hexadienoxy)-
TL;DR: Propionitrile, 3-(2,4-hexadienoxy)- (CAS 27310-18-5) is a chemical compound with molecular formula C9H13NO and molecular weight 151.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2E,4E)-hexa-2,4-dienoxy]propanenitrile
Also Known As: 2,4-Hexadienoxypropionitrile, 3- propanenitrile, Propionitrile, 3-(2,4-hexadienoxy)-, 3-(2,4-Hexadienyloxy)propanenitrile, Propionitrile, 3-(2,4-hexadienyloxy)-
| Molecular Formula | C9H13NO |
|---|---|
| Molecular Weight | 151.10 g/mol |
| LogP | 2.04898 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 151.09972 |
| Heavy Atoms | 11 |
| Complexity | 164.89177 |
Chemical Identifiers
| CAS Number | 27310-18-5 |
|---|---|
| SMILES | C/C=C/C=C/COCCC#N |
Product Overview
Propionitrile, 3-(2,4-hexadienoxy)- (CAS 27310-18-5), with molecular formula C9H13NO and molecular weight 151.10 g/mol. IUPAC: 3-[(2E,4E)-hexa-2,4-dienoxy]propanenitrile.
Chemical Property Profile of Propionitrile, 3-(2,4-hexadienoxy)-
Property Insights of Propionitrile, 3-(2,4-hexadienoxy)-
The XLogP value of 2.04898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propionitrile, 3-(2,4-hexadienoxy)-. With a topological polar surface area (TPSA) of 33.02 Ų, Propionitrile, 3-(2,4-hexadienoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propionitrile, 3-(2,4-hexadienoxy)- 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 Propionitrile, 3-(2,4-hexadienoxy)-?
The CAS number of Propionitrile, 3-(2,4-hexadienoxy)- is 27310-18-5.
What is the molecular formula of Propionitrile, 3-(2,4-hexadienoxy)-?
The molecular formula of Propionitrile, 3-(2,4-hexadienoxy)- is C9H13NO.
What is the molecular weight of Propionitrile, 3-(2,4-hexadienoxy)-?
The molecular weight of Propionitrile, 3-(2,4-hexadienoxy)- is 151.10 g/mol.
Where can I buy Propionitrile, 3-(2,4-hexadienoxy)-?
You can request a quote for Propionitrile, 3-(2,4-hexadienoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propionitrile, 3-(2,4-hexadienoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Propionitrile, 3-(2,4-hexadienoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.