![3-[3-(4-Methylphenyl)adamantane-1-amido]benzoic acid structure](/static/products/4135/413593-49-4.webp)
3-[3-(4-Methylphenyl)adamantane-1-amido]benzoic acid
TL;DR: 3-[3-(4-Methylphenyl)adamantane-1-amido]benzoic acid (CAS 413593-49-4) is a chemical compound with molecular formula C25H27NO3 and molecular weight 389.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-(4-methylphenyl)adamantane-1-carbonyl]amino]benzoic acid
Also Known As: ZINC 01467812, 3-[3-(4-methylphenyl)adamantane-1-amido]benzoic acid, BIM-0048031.P001, 3-[[3-(4-methylphenyl)adamantane-1-carbonyl]amino]benzoic acid
| Molecular Formula | C25H27NO3 |
|---|---|
| Molecular Weight | 389.20 g/mol |
| LogP | 5.16992 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.1991 |
| Heavy Atoms | 29 |
| Complexity | 963.81793 |
Chemical Identifiers
| CAS Number | 413593-49-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC5=CC=CC(=C5)C(=O)O |
Product Overview
3-[3-(4-Methylphenyl)adamantane-1-amido]benzoic acid (CAS 413593-49-4), with molecular formula C25H27NO3 and molecular weight 389.20 g/mol. IUPAC: 3-[[3-(4-methylphenyl)adamantane-1-carbonyl]amino]benzoic acid.
Chemical Property Profile of 3-[3-(4-Methylphenyl)adamantane-1-amido]benzoic acid
Property Insights of 3-[3-(4-Methylphenyl)adamantane-1-amido]benzoic acid
The XLogP value of 5.16992 indicates that 3-[3-(4-Methylphenyl)adamantane-1-amido]benzoic 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 3-[3-(4-Methylphenyl)adamantane-1-amido]benzoic acid. Following Lipinski's Rule of Five, 3-[3-(4-Methylphenyl)adamantane-1-amido]benzoic acid has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[3-(4-Methylphenyl)adamantane-1-amido]benzoic acid?
The CAS number of 3-[3-(4-Methylphenyl)adamantane-1-amido]benzoic acid is 413593-49-4.
What is the molecular formula of 3-[3-(4-Methylphenyl)adamantane-1-amido]benzoic acid?
The molecular formula of 3-[3-(4-Methylphenyl)adamantane-1-amido]benzoic acid is C25H27NO3.
What is the molecular weight of 3-[3-(4-Methylphenyl)adamantane-1-amido]benzoic acid?
The molecular weight of 3-[3-(4-Methylphenyl)adamantane-1-amido]benzoic acid is 389.20 g/mol.
Where can I buy 3-[3-(4-Methylphenyl)adamantane-1-amido]benzoic acid?
You can request a quote for 3-[3-(4-Methylphenyl)adamantane-1-amido]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-[3-(4-Methylphenyl)adamantane-1-amido]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(4-Methylphenyl)adamantane-1-amido]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.