2-Amino-4,5-hexadienoic acid
TL;DR: 2-Amino-4,5-hexadienoic acid (CAS 22260-39-5) is a chemical compound with molecular formula C6H9NO2 and molecular weight 127.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminohexa-4,5-dienoic acid
Also Known As: 2-Amino-4,5-hexadienoic acid, 2-aminohexa-4,5-dienoic acid, Allenic Norleucine, 4,5-Hexadienoic acid, 2-amino-, 4,5-Hexadienoic acid,2-amino-
| Molecular Formula | C6H9NO2 |
|---|---|
| Molecular Weight | 127.06 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 127.06333 |
| Heavy Atoms | 9 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 22260-39-5 |
|---|---|
| SMILES | C=C=CCC(C(=O)O)N |
| InChIKey | LUYLVPILJAHRJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-4,5-hexadienoic acid (CAS 22260-39-5), with molecular formula C6H9NO2 and molecular weight 127.06 g/mol. IUPAC: 2-aminohexa-4,5-dienoic acid.
Chemical Property Profile of 2-Amino-4,5-hexadienoic acid
Property Insights of 2-Amino-4,5-hexadienoic acid
The XLogP value of -2.7 indicates that 2-Amino-4,5-hexadienoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4,5-hexadienoic acid. Following Lipinski's Rule of Five, 2-Amino-4,5-hexadienoic acid has 2 hydrogen bond donor(s) and 3 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 2-Amino-4,5-hexadienoic acid?
The CAS number of 2-Amino-4,5-hexadienoic acid is 22260-39-5.
What is the molecular formula of 2-Amino-4,5-hexadienoic acid?
The molecular formula of 2-Amino-4,5-hexadienoic acid is C6H9NO2.
What is the molecular weight of 2-Amino-4,5-hexadienoic acid?
The molecular weight of 2-Amino-4,5-hexadienoic acid is 127.06 g/mol.
Where can I buy 2-Amino-4,5-hexadienoic acid?
You can request a quote for 2-Amino-4,5-hexadienoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-4,5-hexadienoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4,5-hexadienoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.