(3R)-3-azaniumyl-4-oxo-4-phenylmethoxybutanoate
TL;DR: (3R)-3-azaniumyl-4-oxo-4-phenylmethoxybutanoate (CAS 79337-40-9) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-3-azaniumyl-4-oxo-4-phenylmethoxybutanoate
Also Known As: D-Aspartic acid alpha-benzyl ester, (3R)-3-azaniumyl-4-oxo-4-phenylmethoxybutanoate
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | -1.5197 |
| Topological Polar Surface Area | 94.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 363.50714 |
Chemical Identifiers
| CAS Number | 79337-40-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)[C@@H](CC(=O)[O-])[NH3+] |
Product Overview
(3R)-3-azaniumyl-4-oxo-4-phenylmethoxybutanoate (CAS 79337-40-9), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: (3R)-3-azaniumyl-4-oxo-4-phenylmethoxybutanoate.
Chemical Property Profile of (3R)-3-azaniumyl-4-oxo-4-phenylmethoxybutanoate
Property Insights of (3R)-3-azaniumyl-4-oxo-4-phenylmethoxybutanoate
The XLogP value of -1.5197 indicates that (3R)-3-azaniumyl-4-oxo-4-phenylmethoxybutanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (3R)-3-azaniumyl-4-oxo-4-phenylmethoxybutanoate. Following Lipinski's Rule of Five, (3R)-3-azaniumyl-4-oxo-4-phenylmethoxybutanoate has 1 hydrogen bond donor(s) and 4 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 (3R)-3-azaniumyl-4-oxo-4-phenylmethoxybutanoate?
The CAS number of (3R)-3-azaniumyl-4-oxo-4-phenylmethoxybutanoate is 79337-40-9.
What is the molecular formula of (3R)-3-azaniumyl-4-oxo-4-phenylmethoxybutanoate?
The molecular formula of (3R)-3-azaniumyl-4-oxo-4-phenylmethoxybutanoate is C11H13NO4.
What is the molecular weight of (3R)-3-azaniumyl-4-oxo-4-phenylmethoxybutanoate?
The molecular weight of (3R)-3-azaniumyl-4-oxo-4-phenylmethoxybutanoate is 223.08 g/mol.
Where can I buy (3R)-3-azaniumyl-4-oxo-4-phenylmethoxybutanoate?
You can request a quote for (3R)-3-azaniumyl-4-oxo-4-phenylmethoxybutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3R)-3-azaniumyl-4-oxo-4-phenylmethoxybutanoate?
Yes, KEHONG BIO provides custom synthesis services for (3R)-3-azaniumyl-4-oxo-4-phenylmethoxybutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.