Anthranilic acid, N-(5-(3',4'-xylyl)-3-adamantylcarbonyl)-
TL;DR: Anthranilic acid, N-(5-(3',4'-xylyl)-3-adamantylcarbonyl)- (CAS 50741-83-8) is a chemical compound with molecular formula C26H29NO3 and molecular weight 403.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(3,4-dimethylphenyl)adamantane-1-carbonyl]amino]benzoic acid
Also Known As: N-(5-(3',4'-Xylyl)-3-adamantoyl)anthranilic acid, N-(5-(3',4'-Xylyl)-3-adamantylcarbonyl)anthranilic acid, Anthranilic acid, N-(5-(3',4'-xylyl)-3-adamantylcarbonyl)-, Benzoic acid, 2-(((3-(3,4-dimethylphenyl)tricyclo(3.3.1.1(sup 3,7))dec-1-yl)carbonyl)amino)-, 2-[[3-(3,4-dimethylphenyl)adamantane-1-carbonyl]amino]benzoic acid
| Molecular Formula | C26H29NO3 |
|---|---|
| Molecular Weight | 403.21 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.21475 |
| Heavy Atoms | 30 |
| Complexity | 688.0 |
Chemical Identifiers
| CAS Number | 50741-83-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC5=CC=CC=C5C(=O)O)C |
| InChIKey | DTADCQZFUVPRNG-UHFFFAOYSA-N |
Product Overview
Anthranilic acid, N-(5-(3',4'-xylyl)-3-adamantylcarbonyl)- (CAS 50741-83-8), with molecular formula C26H29NO3 and molecular weight 403.21 g/mol. IUPAC: 2-[[3-(3,4-dimethylphenyl)adamantane-1-carbonyl]amino]benzoic acid.
Chemical Property Profile of Anthranilic acid, N-(5-(3',4'-xylyl)-3-adamantylcarbonyl)-
Property Insights of Anthranilic acid, N-(5-(3',4'-xylyl)-3-adamantylcarbonyl)-
The XLogP value of 6.0 indicates that Anthranilic acid, N-(5-(3',4'-xylyl)-3-adamantylcarbonyl)- 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 Anthranilic acid, N-(5-(3',4'-xylyl)-3-adamantylcarbonyl)-. Following Lipinski's Rule of Five, Anthranilic acid, N-(5-(3',4'-xylyl)-3-adamantylcarbonyl)- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Anthranilic acid, N-(5-(3',4'-xylyl)-3-adamantylcarbonyl)-?
The CAS number of Anthranilic acid, N-(5-(3',4'-xylyl)-3-adamantylcarbonyl)- is 50741-83-8.
What is the molecular formula of Anthranilic acid, N-(5-(3',4'-xylyl)-3-adamantylcarbonyl)-?
The molecular formula of Anthranilic acid, N-(5-(3',4'-xylyl)-3-adamantylcarbonyl)- is C26H29NO3.
What is the molecular weight of Anthranilic acid, N-(5-(3',4'-xylyl)-3-adamantylcarbonyl)-?
The molecular weight of Anthranilic acid, N-(5-(3',4'-xylyl)-3-adamantylcarbonyl)- is 403.21 g/mol.
Where can I buy Anthranilic acid, N-(5-(3',4'-xylyl)-3-adamantylcarbonyl)-?
You can request a quote for Anthranilic acid, N-(5-(3',4'-xylyl)-3-adamantylcarbonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anthranilic acid, N-(5-(3',4'-xylyl)-3-adamantylcarbonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Anthranilic acid, N-(5-(3',4'-xylyl)-3-adamantylcarbonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.