(E)-3-(4-methylanilino)but-2-enenitrile
TL;DR: (E)-3-(4-methylanilino)but-2-enenitrile (CAS 90814-75-8) is a chemical compound with molecular formula C11H12N2 and molecular weight 172.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-methylanilino)but-2-enenitrile
Also Known As: 3-p-toluidino-crotononitrile, (E)-3-(4-methylanilino)but-2-enenitrile
| Molecular Formula | C11H12N2 |
|---|---|
| Molecular Weight | 172.10 g/mol |
| LogP | 2.8343 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.10005 |
| Heavy Atoms | 13 |
| Complexity | 341.34818 |
Chemical Identifiers
| CAS Number | 90814-75-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N/C(=C/C#N)/C |
Product Overview
(E)-3-(4-methylanilino)but-2-enenitrile (CAS 90814-75-8), with molecular formula C11H12N2 and molecular weight 172.10 g/mol. IUPAC: (E)-3-(4-methylanilino)but-2-enenitrile.
Chemical Property Profile of (E)-3-(4-methylanilino)but-2-enenitrile
Property Insights of (E)-3-(4-methylanilino)but-2-enenitrile
The XLogP value of 2.8343 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(4-methylanilino)but-2-enenitrile. With a topological polar surface area (TPSA) of 35.82 Ų, (E)-3-(4-methylanilino)but-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(4-methylanilino)but-2-enenitrile 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 (E)-3-(4-methylanilino)but-2-enenitrile?
The CAS number of (E)-3-(4-methylanilino)but-2-enenitrile is 90814-75-8.
What is the molecular formula of (E)-3-(4-methylanilino)but-2-enenitrile?
The molecular formula of (E)-3-(4-methylanilino)but-2-enenitrile is C11H12N2.
What is the molecular weight of (E)-3-(4-methylanilino)but-2-enenitrile?
The molecular weight of (E)-3-(4-methylanilino)but-2-enenitrile is 172.10 g/mol.
Where can I buy (E)-3-(4-methylanilino)but-2-enenitrile?
You can request a quote for (E)-3-(4-methylanilino)but-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(4-methylanilino)but-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(4-methylanilino)but-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.