1-Adamantylaspartate
TL;DR: 1-Adamantylaspartate (CAS 115545-59-0) is a chemical compound with molecular formula C14H21NO4 and molecular weight 267.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-(1-adamantyloxy)-2-amino-4-oxobutanoic acid
Also Known As: 1-Adamantylaspartate, H-Asp(O-1-ada)-OH, beta-1-Adamantylaspartic acid, H-Asp-(O-1-Ada)-OH, (2S)-4-(1-adamantyloxy)-2-amino-4-oxobutanoic acid
| Molecular Formula | C14H21NO4 |
|---|---|
| Molecular Weight | 267.15 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 89.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.14706 |
| Heavy Atoms | 19 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 115545-59-0 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)OC(=O)C[C@@H](C(=O)O)N |
| InChIKey | JWPBQLVAJXYMGD-RLFZITJJSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Adamantylaspartate (CAS 115545-59-0), with molecular formula C14H21NO4 and molecular weight 267.15 g/mol. IUPAC: (2S)-4-(1-adamantyloxy)-2-amino-4-oxobutanoic acid.
Chemical Property Profile of 1-Adamantylaspartate
Property Insights of 1-Adamantylaspartate
The XLogP value of -0.9 indicates that 1-Adamantylaspartate 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 1-Adamantylaspartate. Following Lipinski's Rule of Five, 1-Adamantylaspartate 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 1-Adamantylaspartate?
The CAS number of 1-Adamantylaspartate is 115545-59-0.
What is the molecular formula of 1-Adamantylaspartate?
The molecular formula of 1-Adamantylaspartate is C14H21NO4.
What is the molecular weight of 1-Adamantylaspartate?
The molecular weight of 1-Adamantylaspartate is 267.15 g/mol.
Where can I buy 1-Adamantylaspartate?
You can request a quote for 1-Adamantylaspartate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Adamantylaspartate?
Yes, KEHONG BIO provides custom synthesis services for 1-Adamantylaspartate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.