β-羧基天冬氨酸
TL;DR: β-羧基天冬氨酸 (CAS 90365-27-8) is a chemical compound with molecular formula C5H7NO6 and molecular weight 177.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
β-羧基天冬氨酸
2-aminoethane-1,1,2-tricarboxylic acid
Also Known As: beta-Carboxyaspartic acid, b-carboxyaspartic acid, beta-carboxyasparticacid, 2-aminoethane-1,1,2-tricarboxylic acid, 1,1,2-Ethanetricarboxylic acid, 2-amino-
| Molecular Formula | C5H7NO6 |
|---|---|
| Molecular Weight | 177.03 g/mol |
| LogP | -4.1 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 177.02734 |
| Heavy Atoms | 12 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 90365-27-8 |
|---|---|
| SMILES | C(C(C(=O)O)N)(C(=O)O)C(=O)O |
| InChIKey | OQFSQFPPLPISGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
β-羧基天冬氨酸 (CAS 90365-27-8), with molecular formula C5H7NO6 and molecular weight 177.03 g/mol. IUPAC: 2-aminoethane-1,1,2-tricarboxylic acid.
Chemical Property Profile of β-羧基天冬氨酸
Property Insights of β-羧基天冬氨酸
The XLogP value of -4.1 indicates that β-羧基天冬氨酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for β-羧基天冬氨酸. Following Lipinski's Rule of Five, β-羧基天冬氨酸 has 4 hydrogen bond donor(s) and 7 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 β-羧基天冬氨酸?
The CAS number of β-羧基天冬氨酸 is 90365-27-8.
What is the molecular formula of β-羧基天冬氨酸?
The molecular formula of β-羧基天冬氨酸 is C5H7NO6.
What is the molecular weight of β-羧基天冬氨酸?
The molecular weight of β-羧基天冬氨酸 is 177.03 g/mol.
Where can I buy β-羧基天冬氨酸?
You can request a quote for β-羧基天冬氨酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for β-羧基天冬氨酸?
Yes, KEHONG BIO provides custom synthesis services for β-羧基天冬氨酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.