(E)-2-Methyl-2-butenenitrile
TL;DR: (E)-2-Methyl-2-butenenitrile (CAS 30574-97-1) is a chemical compound with molecular formula C5H7N and molecular weight 81.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-methylbut-2-enenitrile
Also Known As: 2-methylbut-2-enenitrile, Tiglonitrile, 2-METHYL-2-BUTENENITRILE, Tiglonitryle, 2-Cyano-2-butene
| Molecular Formula | C5H7N |
|---|---|
| Molecular Weight | 81.06 g/mol |
| LogP | 1.47618 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 81.057846 |
| Heavy Atoms | 6 |
| Complexity | 94.9963 |
Chemical Identifiers
| CAS Number | 30574-97-1 |
|---|---|
| SMILES | C/C=C(\C)/C#N |
Product Overview
(E)-2-Methyl-2-butenenitrile (CAS 30574-97-1), with molecular formula C5H7N and molecular weight 81.06 g/mol. IUPAC: (E)-2-methylbut-2-enenitrile.
Chemical Property Profile of (E)-2-Methyl-2-butenenitrile
Property Insights of (E)-2-Methyl-2-butenenitrile
The XLogP value of 1.47618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-Methyl-2-butenenitrile. With a topological polar surface area (TPSA) of 23.79 Ų, (E)-2-Methyl-2-butenenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-Methyl-2-butenenitrile has 0 hydrogen bond donor(s) and 1 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 (E)-2-Methyl-2-butenenitrile?
The CAS number of (E)-2-Methyl-2-butenenitrile is 30574-97-1.
What is the molecular formula of (E)-2-Methyl-2-butenenitrile?
The molecular formula of (E)-2-Methyl-2-butenenitrile is C5H7N.
What is the molecular weight of (E)-2-Methyl-2-butenenitrile?
The molecular weight of (E)-2-Methyl-2-butenenitrile is 81.06 g/mol.
Where can I buy (E)-2-Methyl-2-butenenitrile?
You can request a quote for (E)-2-Methyl-2-butenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-Methyl-2-butenenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-Methyl-2-butenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.