6-Smotatca
TL;DR: 6-Smotatca (CAS 150198-30-4) is a chemical compound with molecular formula C13H23NO3S2 and molecular weight 305.11194 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cis-(3R,6S)-5-oxo-6-(sulfanylmethyl)-1-thia-4-azacyclotridecane-3-carboxylic acid
Also Known As: 6-Smotatca, 6-(Mercaptomethyl)-5-oxo-1-thia-4-azacyclotridecane-3-carboxylic acid, Phosphoric acid,diethyl 2-formyl-4-nitrophenyl ester, (3R,6S)-5-oxo-6-(sulfanylmethyl)-1-thia-4-azacyclotridecane-3-carboxylic acid, 1-Thia-4-azacyclotridecane-3-carboxylic acid, 6-(mercaptomethyl)-5-oxo-, (3R-(3R*,6S*))-
Technical Specifications
| Molecular Formula | C13H23NO3S2 |
| Molecular Weight | 305.11194 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 92.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.11194 Da |
| Heavy Atoms | 19 |
| Complexity | 300.0 |
| SMILES | C1CCC[C@@H](C(=O)N[C@@H](CSCCC1)C(=O)O)CS |
| InChIKey | IEXLNMCXTFFDIL-MNOVXSKESA-N |
Chemical Property Profile of 6-Smotatca
Property Insights of 6-Smotatca
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Smotatca. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Smotatca. Following Lipinski's Rule of Five, 6-Smotatca has 3 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 6-Smotatca?
The CAS number of 6-Smotatca is 150198-30-4.
What is the molecular formula of 6-Smotatca?
The molecular formula of 6-Smotatca is C13H23NO3S2.
What is the molecular weight of 6-Smotatca?
The molecular weight of 6-Smotatca is 305.11194 g/mol.
Where can I buy 6-Smotatca?
You can request a quote for 6-Smotatca directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Smotatca?
Yes, CoreyChem provides custom synthesis services for 6-Smotatca and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.