RefChem:385388
TL;DR: RefChem:385388 (CAS 117101-76-5) is a chemical compound with molecular formula C20H28N2O3S2 and molecular weight 408.15414 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-(4-methylphenyl)adamantane
Also Known As: N-(3-(4-Tolyl)adamant-1-ylmethyl)acetamidinothiosulfuric acid, Thiosulfuric acid, S-(2-(((3-(4-methylphenyl)tricyclo(3.3.1.1(sup 3,7))dec-1-yl)methyl)amino)-2-iminoethyl) ester, 1-[[(1-amino-2-sulfosulfanylethylidene)amino]methyl]-3-(4-methylphenyl)adamantane, s-[(2z)-2-amino-2-({[3-(4-methylphenyl)tricyclo[3.3.1.13,7]dec-1-yl]methyl}imino)ethyl] hydrogen sulfurothioate, S-[2-Imino-2-({[3-(4-methylphenyl)adamantan-1-yl]methyl}amino)ethyl] hydrogen sulfurothioate
Technical Specifications
| Molecular Formula | C20H28N2O3S2 |
| Molecular Weight | 408.15414 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.15414 Da |
| Heavy Atoms | 27 |
| Complexity | 679.0 |
| SMILES | CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CN=C(CSS(=O)(=O)O)N |
| InChIKey | WQKYMCOBOFMBMK-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:385388
Property Insights of RefChem:385388
The XLogP value of 3.4 indicates that RefChem:385388 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:385388. Following Lipinski's Rule of Five, RefChem:385388 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 RefChem:385388?
The CAS number of RefChem:385388 is 117101-76-5.
What is the molecular formula of RefChem:385388?
The molecular formula of RefChem:385388 is C20H28N2O3S2.
What is the molecular weight of RefChem:385388?
The molecular weight of RefChem:385388 is 408.15414 g/mol.
Where can I buy RefChem:385388?
You can request a quote for RefChem:385388 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:385388?
Yes, CoreyChem provides custom synthesis services for RefChem:385388 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.