beta-Aspartyl phosphate
TL;DR: beta-Aspartyl phosphate (CAS 22138-53-0) is a chemical compound with molecular formula C4H8NO7P and molecular weight 213.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-4-oxo-4-phosphonooxybutanoic acid
Also Known As: Aspartyl phosphate, Phosphoaspartate, beta-Aspartyl phosphate, 4-phospho-L-aspartate, L-aspartyl-4-P
| Molecular Formula | C4H8NO7P |
|---|---|
| Molecular Weight | 213.00 g/mol |
| LogP | -5.2 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 213.00385 |
| Heavy Atoms | 13 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 22138-53-0 |
|---|---|
| SMILES | C([C@@H](C(=O)O)N)C(=O)OP(=O)(O)O |
| InChIKey | IXZNKTPIYKDIGG-REOHCLBHSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Aspartyl phosphate (CAS 22138-53-0), with molecular formula C4H8NO7P and molecular weight 213.00 g/mol. IUPAC: (2S)-2-amino-4-oxo-4-phosphonooxybutanoic acid.
Chemical Property Profile of beta-Aspartyl phosphate
Property Insights of beta-Aspartyl phosphate
The XLogP value of -5.2 indicates that beta-Aspartyl phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.0 Ų indicates high polarity, suggesting beta-Aspartyl phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-Aspartyl phosphate has 4 hydrogen bond donor(s) and 8 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-Aspartyl phosphate?
The CAS number of beta-Aspartyl phosphate is 22138-53-0.
What is the molecular formula of beta-Aspartyl phosphate?
The molecular formula of beta-Aspartyl phosphate is C4H8NO7P.
What is the molecular weight of beta-Aspartyl phosphate?
The molecular weight of beta-Aspartyl phosphate is 213.00 g/mol.
Where can I buy beta-Aspartyl phosphate?
You can request a quote for beta-Aspartyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Aspartyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for beta-Aspartyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.