beta-Fluoroasparagine
TL;DR: beta-Fluoroasparagine (CAS 7481-90-5) is a chemical compound with molecular formula C4H7FN2O3 and molecular weight 150.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R)-2,4-diamino-3-fluoro-4-oxobutanoic acid
Also Known As: beta-Fluoroasparagine, 3,5-Anhydrothymidine, (3r)-3-fluoro-l-asparagine, dl-threo-beta-Fluoroasparagine, Asparagine, 3-fluoro-, erythro-
| Molecular Formula | C4H7FN2O3 |
|---|---|
| Molecular Weight | 150.04 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 150.04407 |
| Heavy Atoms | 10 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 7481-90-5 |
|---|---|
| SMILES | [C@H]([C@H](C(=O)N)F)(C(=O)O)N |
| InChIKey | WCDMRIWUCBOWJP-NCGGTJAESA-N |
Product Overview
beta-Fluoroasparagine (CAS 7481-90-5), with molecular formula C4H7FN2O3 and molecular weight 150.04 g/mol. IUPAC: (2R,3R)-2,4-diamino-3-fluoro-4-oxobutanoic acid.
Chemical Property Profile of beta-Fluoroasparagine
Property Insights of beta-Fluoroasparagine
The XLogP value of -4.0 indicates that beta-Fluoroasparagine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Fluoroasparagine. Following Lipinski's Rule of Five, beta-Fluoroasparagine 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 beta-Fluoroasparagine?
The CAS number of beta-Fluoroasparagine is 7481-90-5.
What is the molecular formula of beta-Fluoroasparagine?
The molecular formula of beta-Fluoroasparagine is C4H7FN2O3.
What is the molecular weight of beta-Fluoroasparagine?
The molecular weight of beta-Fluoroasparagine is 150.04 g/mol.
Where can I buy beta-Fluoroasparagine?
You can request a quote for beta-Fluoroasparagine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Fluoroasparagine?
Yes, KEHONG BIO provides custom synthesis services for beta-Fluoroasparagine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.