N-(3-(2-Hydroxy-4,5-dimethylphenyl)adamant-1-ylmethyl)acetamidinothiosulfuric acid
TL;DR: N-(3-(2-Hydroxy-4,5-dimethylphenyl)adamant-1-ylmethyl)acetamidinothiosulfuric acid (CAS 155622-18-7) is a chemical compound with molecular formula C21H30N2O4S2 and molecular weight 438.1647 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[[(1-amino-2-sulfosulfanylethylidene)amino]methyl]-3-(2-hydroxy-4,5-dimethylphenyl)adamantane
Also Known As: N-(3-(2-Hydroxy-4,5-dimethylphenyl)adamant-1-ylmethyl)acetamidinothiosulfuric acid, 1-[[(1-amino-2-sulfosulfanylethylidene)amino]methyl]-3-(2-hydroxy-4,5-dimethylphenyl)adamantane, Thiosulfuric acid, S-(2-(((3-(4,5-dimethyl-2-hydroxyphenyl)tricyclo(3.3.1.1(sup 3,7))dec-1-yl)methyl)amino)-2-iminoethyl) ester, Thiosulfuric acid, S-(2-(((3-(4,5-dimethyl-2-hydroxyphenyl)tricyclo(3. 3.1.1(sup 3,7))dec-1-yl)methy, 4-[2-[2-Chloro-3-[(2,6-diphenyl-4H-thiopyran-4-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium tetrafluoroborate
Technical Specifications
| Molecular Formula | C21H30N2O4S2 |
| Molecular Weight | 438.1647 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.1647 Da |
| Heavy Atoms | 29 |
| Complexity | 749.0 |
| SMILES | CC1=CC(=C(C=C1C)O)C23CC4CC(C2)CC(C4)(C3)CN=C(CSS(=O)(=O)O)N |
| InChIKey | NJJZPQUQPLSVJD-UHFFFAOYSA-N |
Chemical Property Profile of N-(3-(2-Hydroxy-4,5-dimethylphenyl)adamant-1-ylmethyl)acetamidinothiosulfuric acid
Property Insights of N-(3-(2-Hydroxy-4,5-dimethylphenyl)adamant-1-ylmethyl)acetamidinothiosulfuric acid
The XLogP value of 3.4 indicates that N-(3-(2-Hydroxy-4,5-dimethylphenyl)adamant-1-ylmethyl)acetamidinothiosulfuric acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting N-(3-(2-Hydroxy-4,5-dimethylphenyl)adamant-1-ylmethyl)acetamidinothiosulfuric acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(3-(2-Hydroxy-4,5-dimethylphenyl)adamant-1-ylmethyl)acetamidinothiosulfuric acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(3-(2-Hydroxy-4,5-dimethylphenyl)adamant-1-ylmethyl)acetamidinothiosulfuric acid?
The CAS number of N-(3-(2-Hydroxy-4,5-dimethylphenyl)adamant-1-ylmethyl)acetamidinothiosulfuric acid is 155622-18-7.
What is the molecular formula of N-(3-(2-Hydroxy-4,5-dimethylphenyl)adamant-1-ylmethyl)acetamidinothiosulfuric acid?
The molecular formula of N-(3-(2-Hydroxy-4,5-dimethylphenyl)adamant-1-ylmethyl)acetamidinothiosulfuric acid is C21H30N2O4S2.
What is the molecular weight of N-(3-(2-Hydroxy-4,5-dimethylphenyl)adamant-1-ylmethyl)acetamidinothiosulfuric acid?
The molecular weight of N-(3-(2-Hydroxy-4,5-dimethylphenyl)adamant-1-ylmethyl)acetamidinothiosulfuric acid is 438.1647 g/mol.
Where can I buy N-(3-(2-Hydroxy-4,5-dimethylphenyl)adamant-1-ylmethyl)acetamidinothiosulfuric acid?
You can request a quote for N-(3-(2-Hydroxy-4,5-dimethylphenyl)adamant-1-ylmethyl)acetamidinothiosulfuric acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(3-(2-Hydroxy-4,5-dimethylphenyl)adamant-1-ylmethyl)acetamidinothiosulfuric acid?
Yes, CoreyChem provides custom synthesis services for N-(3-(2-Hydroxy-4,5-dimethylphenyl)adamant-1-ylmethyl)acetamidinothiosulfuric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.