2-(Adamantan-1-yl)-2-(4-propylbenzenesulfonamido)acetic acid
TL;DR: 2-(Adamantan-1-yl)-2-(4-propylbenzenesulfonamido)acetic acid (CAS 1009595-56-5) is a chemical compound with molecular formula C21H29NO4S and molecular weight 391.18173 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-adamantyl)-2-[(4-propylphenyl)sulfonylamino]acetic acid
Also Known As: 2-(adamantan-1-yl)-2-(4-propylbenzenesulfonamido)acetic acid, Adamantan-1-yl-(4-propyl-benzenesulfonylamino)-acetic acid, 2-(1-adamantyl)-2-[(4-propylphenyl)sulfonylamino]acetic Acid, 2-(adamantan-1-yl)-2-(4-propylbenzenesulfonamido)aceticacid, 2-(adamantan-1-yl)-2-[(4-propylbenzene)sulfonamido]acetic acid
Technical Specifications
| Molecular Formula | C21H29NO4S |
| Molecular Weight | 391.18173 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 391.18173 Da |
| Heavy Atoms | 27 |
| Complexity | 619.0 |
| SMILES | CCCC1=CC=C(C=C1)S(=O)(=O)NC(C(=O)O)C23CC4CC(C2)CC(C4)C3 |
| InChIKey | XMFQXSDKZZIXBT-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Adamantan-1-yl)-2-(4-propylbenzenesulfonamido)acetic acid
Property Insights of 2-(Adamantan-1-yl)-2-(4-propylbenzenesulfonamido)acetic acid
The XLogP value of 4.8 indicates that 2-(Adamantan-1-yl)-2-(4-propylbenzenesulfonamido)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Adamantan-1-yl)-2-(4-propylbenzenesulfonamido)acetic acid. Following Lipinski's Rule of Five, 2-(Adamantan-1-yl)-2-(4-propylbenzenesulfonamido)acetic acid 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
What is the CAS number of 2-(Adamantan-1-yl)-2-(4-propylbenzenesulfonamido)acetic acid?
The CAS number of 2-(Adamantan-1-yl)-2-(4-propylbenzenesulfonamido)acetic acid is 1009595-56-5.
What is the molecular formula of 2-(Adamantan-1-yl)-2-(4-propylbenzenesulfonamido)acetic acid?
The molecular formula of 2-(Adamantan-1-yl)-2-(4-propylbenzenesulfonamido)acetic acid is C21H29NO4S.
What is the molecular weight of 2-(Adamantan-1-yl)-2-(4-propylbenzenesulfonamido)acetic acid?
The molecular weight of 2-(Adamantan-1-yl)-2-(4-propylbenzenesulfonamido)acetic acid is 391.18173 g/mol.
Where can I buy 2-(Adamantan-1-yl)-2-(4-propylbenzenesulfonamido)acetic acid?
You can request a quote for 2-(Adamantan-1-yl)-2-(4-propylbenzenesulfonamido)acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Adamantan-1-yl)-2-(4-propylbenzenesulfonamido)acetic acid?
Yes, CoreyChem provides custom synthesis services for 2-(Adamantan-1-yl)-2-(4-propylbenzenesulfonamido)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.