β-氟天冬氨酸
TL;DR: β-氟天冬氨酸 (CAS 72029-71-1) is a chemical compound with molecular formula C4H6FNO4 and molecular weight 151.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
β-氟天冬氨酸
(2R,3R)-2-amino-3-fluorobutanedioic acid
Also Known As: beta-Fluoroaspartic acid, (3r)-3-fluoro-l-aspartic acid, KST-1A7722, erythro-3-Fluoro-DL-aspartic acid, (2R,3R)-2-amino-3-fluorobutanedioic acid
| Molecular Formula | C4H6FNO4 |
|---|---|
| Molecular Weight | 151.03 g/mol |
| LogP | -3.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 151.02809 |
| Heavy Atoms | 10 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 72029-71-1 |
|---|---|
| SMILES | [C@H]([C@H](C(=O)O)F)(C(=O)O)N |
| InChIKey | WKTWOKOOUAZXQP-NCGGTJAESA-N |
Product Overview
β-氟天冬氨酸 (CAS 72029-71-1), with molecular formula C4H6FNO4 and molecular weight 151.03 g/mol. IUPAC: (2R,3R)-2-amino-3-fluorobutanedioic acid.
Chemical Property Profile of β-氟天冬氨酸
Property Insights of β-氟天冬氨酸
The XLogP value of -3.4 indicates that β-氟天冬氨酸 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 β-氟天冬氨酸. Following Lipinski's Rule of Five, β-氟天冬氨酸 has 3 hydrogen bond donor(s) and 6 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-氟天冬氨酸?
The CAS number of β-氟天冬氨酸 is 72029-71-1.
What is the molecular formula of β-氟天冬氨酸?
The molecular formula of β-氟天冬氨酸 is C4H6FNO4.
What is the molecular weight of β-氟天冬氨酸?
The molecular weight of β-氟天冬氨酸 is 151.03 g/mol.
Where can I buy β-氟天冬氨酸?
You can request a quote for β-氟天冬氨酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for β-氟天冬氨酸?
Yes, KEHONG BIO provides custom synthesis services for β-氟天冬氨酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.