![3-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-benzoic acid structure](/static/products/3135/313548-34-4.webp)
3-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-benzoic acid
TL;DR: 3-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-benzoic acid (CAS 313548-34-4) is a chemical compound with molecular formula C25H27NO4 and molecular weight 405.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]benzoic acid
Also Known As: J2.703.595G, 3-[2-(4-adamantan-1-yl-phenoxy)-acetylamino]-benzoic acid, 3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]benzoic Acid, 3-{2-[4-(adamantan-1-yl)phenoxy]acetamido}benzoic acid, 3-[[[4-(Adamantane-1-yl)phenoxy]acetyl]amino]benzoic acid
| Molecular Formula | C25H27NO4 |
|---|---|
| Molecular Weight | 405.19 g/mol |
| LogP | 4.8701 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.194 |
| Heavy Atoms | 30 |
| Complexity | 930.08466 |
Chemical Identifiers
| CAS Number | 313548-34-4 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OCC(=O)NC5=CC=CC(=C5)C(=O)O |
Product Overview
3-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-benzoic acid (CAS 313548-34-4), with molecular formula C25H27NO4 and molecular weight 405.19 g/mol. IUPAC: 3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]benzoic acid.
Chemical Property Profile of 3-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-benzoic acid
Property Insights of 3-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-benzoic acid
The XLogP value of 4.8701 indicates that 3-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-benzoic acid. Following Lipinski's Rule of Five, 3-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-benzoic acid has 2 hydrogen bond donor(s) and 3 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 3-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-benzoic acid?
The CAS number of 3-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-benzoic acid is 313548-34-4.
What is the molecular formula of 3-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-benzoic acid?
The molecular formula of 3-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-benzoic acid is C25H27NO4.
What is the molecular weight of 3-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-benzoic acid?
The molecular weight of 3-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-benzoic acid is 405.19 g/mol.
Where can I buy 3-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-benzoic acid?
You can request a quote for 3-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.