2-氨基-2,4-己二烯二酸
TL;DR: 2-氨基-2,4-己二烯二酸 (CAS 4548-99-6) is a chemical compound with molecular formula C6H7NO4 and molecular weight 157.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氨基-2,4-己二烯二酸
2-aminohexa-2,4-dienedioic acid
Also Known As: 2-Aminomuconic acid, 2-aminohexa-2,4-dienedioic acid, 2,4-Hexadienedioicacid, 2-amino-, RefChem:246740
| Molecular Formula | C6H7NO4 |
|---|---|
| Molecular Weight | 157.04 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 157.0375 |
| Heavy Atoms | 11 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 4548-99-6 |
|---|---|
| SMILES | C(=CC(=O)O)C=C(C(=O)O)N |
| InChIKey | ZRHONLCTYUYMIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氨基-2,4-己二烯二酸 (CAS 4548-99-6), with molecular formula C6H7NO4 and molecular weight 157.04 g/mol. IUPAC: 2-aminohexa-2,4-dienedioic acid.
Chemical Property Profile of 2-氨基-2,4-己二烯二酸
Property Insights of 2-氨基-2,4-己二烯二酸
The XLogP value of -0.3 indicates that 2-氨基-2,4-己二烯二酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氨基-2,4-己二烯二酸. Following Lipinski's Rule of Five, 2-氨基-2,4-己二烯二酸 has 3 hydrogen bond donor(s) and 5 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-氨基-2,4-己二烯二酸?
The CAS number of 2-氨基-2,4-己二烯二酸 is 4548-99-6.
What is the molecular formula of 2-氨基-2,4-己二烯二酸?
The molecular formula of 2-氨基-2,4-己二烯二酸 is C6H7NO4.
What is the molecular weight of 2-氨基-2,4-己二烯二酸?
The molecular weight of 2-氨基-2,4-己二烯二酸 is 157.04 g/mol.
Where can I buy 2-氨基-2,4-己二烯二酸?
You can request a quote for 2-氨基-2,4-己二烯二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氨基-2,4-己二烯二酸?
Yes, KEHONG BIO provides custom synthesis services for 2-氨基-2,4-己二烯二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.