RefChem:335308
TL;DR: RefChem:335308 (CAS 101329-94-6) is a chemical compound with molecular formula C21H31NO6S and molecular weight 425.1872 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(diethylamino)ethyl 1-phenylsulfanylcyclohexane-1-carboxylate;oxalic acid
Also Known As: 1-(Phenylthio)cyclohexanecarboxylic acid 2-(diethylamino)ethyl ester oxalate, Cyclohexanecarboxylic acid, 1-(phenylthio)-, 2-(diethylamino)ethyl ester, ethanedioate (1:1), 2-(diethylamino)ethyl 1-phenylsulfanylcyclohexane-1-carboxylate,oxalic acid, 2-diethylaminoethyl 1-phenylsulfanylcyclohexane-1-carboxylate; oxalic acid, Cyclohexanecarboxylic acid,1-(phenylthio)-,2-(diethylamino)ethyl ester,ethanedioate (1:1)
Technical Specifications
| Molecular Formula | C21H31NO6S |
| Molecular Weight | 425.1872 g/mol |
| XLogP | 3.5222 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 425.1872 Da |
| Heavy Atoms | 29 |
| Complexity | 417.0 |
| SMILES | CCN(CC)CCOC(=O)C1(CCCCC1)SC2=CC=CC=C2.C(=O)(C(=O)O)O |
| InChIKey | ZVTQGKKWULDHGY-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:335308
Property Insights of RefChem:335308
The XLogP value of 3.5222 indicates that RefChem:335308 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:335308. Following Lipinski's Rule of Five, RefChem:335308 has 2 hydrogen bond donor(s) and 8 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:335308?
The CAS number of RefChem:335308 is 101329-94-6.
What is the molecular formula of RefChem:335308?
The molecular formula of RefChem:335308 is C21H31NO6S.
What is the molecular weight of RefChem:335308?
The molecular weight of RefChem:335308 is 425.1872 g/mol.
Where can I buy RefChem:335308?
You can request a quote for RefChem:335308 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:335308?
Yes, CoreyChem provides custom synthesis services for RefChem:335308 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.