RefChem:1090988
TL;DR: RefChem:1090988 (CAS 77966-42-8) is a chemical compound with molecular formula C17H28Cl2N2O and molecular weight 346.15787 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dibutyl-[2-(2-chloro-6-methylanilino)-2-oxoethyl]azanium chloride
Also Known As: C 3072, 6'-Chloro-2-(dibutylamino)-o-acetotoluidide, hydrochloride, dibutyl-[2-(2-chloro-6-methylanilino)-2-oxoethyl]azanium chloride, o-ACETOTOLUIDIDE, 6'-CHLORO-2-(DIBUTYLAMINO)-, HYDROCHLORIDE, Acetamide, N-(2-chloro-6-methylphenyl)-2-(dibutylamino)-, monohydrochloride
Technical Specifications
| Molecular Formula | C17H28Cl2N2O |
| Molecular Weight | 346.15787 g/mol |
| XLogP | 0.08 |
| Topological Polar Surface Area (TPSA) | 33.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 346.15787 Da |
| Heavy Atoms | 22 |
| Complexity | 291.0 |
| SMILES | CCCC[NH+](CCCC)CC(=O)NC1=C(C=CC=C1Cl)C.[Cl-] |
| InChIKey | JPDGTLUBDMGOAV-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1090988
Property Insights of RefChem:1090988
The XLogP value of 0.08 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1090988. With a topological polar surface area (TPSA) of 33.5 Ų, RefChem:1090988 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1090988 has 2 hydrogen bond donor(s) and 2 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:1090988?
The CAS number of RefChem:1090988 is 77966-42-8.
What is the molecular formula of RefChem:1090988?
The molecular formula of RefChem:1090988 is C17H28Cl2N2O.
What is the molecular weight of RefChem:1090988?
The molecular weight of RefChem:1090988 is 346.15787 g/mol.
Where can I buy RefChem:1090988?
You can request a quote for RefChem:1090988 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1090988?
Yes, CoreyChem provides custom synthesis services for RefChem:1090988 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.