4-(Phenylmethyl) hydrogen L-aspartate
TL;DR: 4-(Phenylmethyl) hydrogen L-aspartate (CAS 2177-63-1) 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.
(2S)-2-amino-4-oxo-4-phenylmethoxybutanoic acid
Also Known As: H-Asp(OBzl)-OH, L-Aspartic acid 4-benzyl ester, 4-Benzyl L-Aspartate, Pbb-asp, L-Aspartic acid beta-benzyl ester
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 89.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 2177-63-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C[C@@H](C(=O)O)N |
| InChIKey | VGALFAWDSNRXJK-VIFPVBQESA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Phenylmethyl) hydrogen L-aspartate (CAS 2177-63-1), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: (2S)-2-amino-4-oxo-4-phenylmethoxybutanoic acid.
Chemical Property Profile of 4-(Phenylmethyl) hydrogen L-aspartate
Property Insights of 4-(Phenylmethyl) hydrogen L-aspartate
The XLogP value of -2.0 indicates that 4-(Phenylmethyl) hydrogen L-aspartate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Phenylmethyl) hydrogen L-aspartate. Following Lipinski's Rule of Five, 4-(Phenylmethyl) hydrogen L-aspartate has 2 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 4-(Phenylmethyl) hydrogen L-aspartate?
The CAS number of 4-(Phenylmethyl) hydrogen L-aspartate is 2177-63-1.
What is the molecular formula of 4-(Phenylmethyl) hydrogen L-aspartate?
The molecular formula of 4-(Phenylmethyl) hydrogen L-aspartate is C11H13NO4.
What is the molecular weight of 4-(Phenylmethyl) hydrogen L-aspartate?
The molecular weight of 4-(Phenylmethyl) hydrogen L-aspartate is 223.08 g/mol.
Where can I buy 4-(Phenylmethyl) hydrogen L-aspartate?
You can request a quote for 4-(Phenylmethyl) hydrogen L-aspartate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Phenylmethyl) hydrogen L-aspartate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Phenylmethyl) hydrogen L-aspartate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.