2-氨基粘康酸半醛
TL;DR: 2-氨基粘康酸半醛 (CAS 150994-59-5) is a chemical compound with molecular formula C6H7NO3 and molecular weight 141.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氨基粘康酸半醛
2-amino-6-oxohexa-2,4-dienoic acid
Also Known As: 2-aminomuconate semialdehyde, benzyl 4-cyanophenyl sulfide, 2-amino-6-oxohexa-2,4-dienoic acid, 2,4-Hexadienoic acid, 2-amino-6-oxo-, 2-amino-6-oxo-2,4-hexadienoic acid
| Molecular Formula | C6H7NO3 |
|---|---|
| Molecular Weight | 141.04 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 141.04259 |
| Heavy Atoms | 10 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 150994-59-5 |
|---|---|
| SMILES | C(=CC=O)C=C(C(=O)O)N |
| InChIKey | QCGTZPZKJPTAEP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氨基粘康酸半醛 (CAS 150994-59-5), with molecular formula C6H7NO3 and molecular weight 141.04 g/mol. IUPAC: 2-amino-6-oxohexa-2,4-dienoic acid.
Chemical Property Profile of 2-氨基粘康酸半醛
Property Insights of 2-氨基粘康酸半醛
The XLogP value of -0.3 indicates that 2-氨基粘康酸半醛 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氨基粘康酸半醛. Following Lipinski's Rule of Five, 2-氨基粘康酸半醛 has 2 hydrogen bond donor(s) and 4 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-氨基粘康酸半醛?
The CAS number of 2-氨基粘康酸半醛 is 150994-59-5.
What is the molecular formula of 2-氨基粘康酸半醛?
The molecular formula of 2-氨基粘康酸半醛 is C6H7NO3.
What is the molecular weight of 2-氨基粘康酸半醛?
The molecular weight of 2-氨基粘康酸半醛 is 141.04 g/mol.
Where can I buy 2-氨基粘康酸半醛?
You can request a quote for 2-氨基粘康酸半醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氨基粘康酸半醛?
Yes, KEHONG BIO provides custom synthesis services for 2-氨基粘康酸半醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.