Adamantan-1-YL-benzoylamino-acetic acid
TL;DR: Adamantan-1-YL-benzoylamino-acetic acid (CAS 121400-13-3) is a chemical compound with molecular formula C19H23NO3 and molecular weight 313.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-adamantyl)-2-benzamidoacetic acid
Also Known As: 1-Adamantyl(benzoylamino)acetic acid, Adamantan-1-yl-benzoylamino-acetic acid, IFLab1_001090, 2-(1-adamantyl)-2-benzamidoacetic acid, BAS 00533921
| Molecular Formula | C19H23NO3 |
|---|---|
| Molecular Weight | 313.17 g/mol |
| LogP | 3.086 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.1678 |
| Heavy Atoms | 23 |
| Complexity | 589.4775 |
Chemical Identifiers
| CAS Number | 121400-13-3 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(C(=O)O)NC(=O)C4=CC=CC=C4 |
Product Overview
Adamantan-1-YL-benzoylamino-acetic acid (CAS 121400-13-3), with molecular formula C19H23NO3 and molecular weight 313.17 g/mol. IUPAC: 2-(1-adamantyl)-2-benzamidoacetic acid.
Chemical Property Profile of Adamantan-1-YL-benzoylamino-acetic acid
Property Insights of Adamantan-1-YL-benzoylamino-acetic acid
The XLogP value of 3.086 indicates that Adamantan-1-YL-benzoylamino-acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Adamantan-1-YL-benzoylamino-acetic acid. Following Lipinski's Rule of Five, Adamantan-1-YL-benzoylamino-acetic acid has 2 hydrogen bond donor(s) and 2 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 Adamantan-1-YL-benzoylamino-acetic acid?
The CAS number of Adamantan-1-YL-benzoylamino-acetic acid is 121400-13-3.
What is the molecular formula of Adamantan-1-YL-benzoylamino-acetic acid?
The molecular formula of Adamantan-1-YL-benzoylamino-acetic acid is C19H23NO3.
What is the molecular weight of Adamantan-1-YL-benzoylamino-acetic acid?
The molecular weight of Adamantan-1-YL-benzoylamino-acetic acid is 313.17 g/mol.
Where can I buy Adamantan-1-YL-benzoylamino-acetic acid?
You can request a quote for Adamantan-1-YL-benzoylamino-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adamantan-1-YL-benzoylamino-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for Adamantan-1-YL-benzoylamino-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.