(2E)-2-(aminomethylidene)butanal
TL;DR: (2E)-2-(aminomethylidene)butanal (CAS 30989-82-3) is a chemical compound with molecular formula C5H9NO and molecular weight 99.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-(aminomethylidene)butanal
Also Known As: 3-Amino-2-ethylacrolein, (2E)-2-(aminomethylidene)butanal
| Molecular Formula | C5H9NO |
|---|---|
| Molecular Weight | 99.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 99.06841 |
| Heavy Atoms | 7 |
| Complexity | 86.0 |
Chemical Identifiers
| CAS Number | 30989-82-3 |
|---|---|
| SMILES | CC/C(=C\N)/C=O |
| InChIKey | IWAPFSLIJDJZND-HWKANZROSA-N |
Product Overview
(2E)-2-(aminomethylidene)butanal (CAS 30989-82-3), with molecular formula C5H9NO and molecular weight 99.07 g/mol. IUPAC: (2E)-2-(aminomethylidene)butanal.
Chemical Property Profile of (2E)-2-(aminomethylidene)butanal
Property Insights of (2E)-2-(aminomethylidene)butanal
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-(aminomethylidene)butanal. With a topological polar surface area (TPSA) of 43.1 Ų, (2E)-2-(aminomethylidene)butanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-2-(aminomethylidene)butanal 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 (2E)-2-(aminomethylidene)butanal?
The CAS number of (2E)-2-(aminomethylidene)butanal is 30989-82-3.
What is the molecular formula of (2E)-2-(aminomethylidene)butanal?
The molecular formula of (2E)-2-(aminomethylidene)butanal is C5H9NO.
What is the molecular weight of (2E)-2-(aminomethylidene)butanal?
The molecular weight of (2E)-2-(aminomethylidene)butanal is 99.07 g/mol.
Where can I buy (2E)-2-(aminomethylidene)butanal?
You can request a quote for (2E)-2-(aminomethylidene)butanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-(aminomethylidene)butanal?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(aminomethylidene)butanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.