2-亚氨基丁二酸
TL;DR: 2-亚氨基丁二酸 (CAS 79067-61-1) is a chemical compound with molecular formula C4H5NO4 and molecular weight 131.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-亚氨基丁二酸
2-iminobutanedioic acid
Also Known As: Iminoaspartic acid, iminoaspartate, iminosuccinate, 2-iminobutanedioic acid, iminosuccinic acid
| Molecular Formula | C4H5NO4 |
|---|---|
| Molecular Weight | 131.02 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 98.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 131.02185 |
| Heavy Atoms | 9 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 79067-61-1 |
|---|---|
| SMILES | C(C(=N)C(=O)O)C(=O)O |
| InChIKey | NMUOATVLLQEYHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-亚氨基丁二酸 (CAS 79067-61-1), with molecular formula C4H5NO4 and molecular weight 131.02 g/mol. IUPAC: 2-iminobutanedioic acid.
Chemical Property Profile of 2-亚氨基丁二酸
Property Insights of 2-亚氨基丁二酸
The XLogP value of -0.5 indicates that 2-亚氨基丁二酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-亚氨基丁二酸. Following Lipinski's Rule of Five, 2-亚氨基丁二酸 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-亚氨基丁二酸?
The CAS number of 2-亚氨基丁二酸 is 79067-61-1.
What is the molecular formula of 2-亚氨基丁二酸?
The molecular formula of 2-亚氨基丁二酸 is C4H5NO4.
What is the molecular weight of 2-亚氨基丁二酸?
The molecular weight of 2-亚氨基丁二酸 is 131.02 g/mol.
Where can I buy 2-亚氨基丁二酸?
You can request a quote for 2-亚氨基丁二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-亚氨基丁二酸?
Yes, KEHONG BIO provides custom synthesis services for 2-亚氨基丁二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.