RefChem:1061754
TL;DR: RefChem:1061754 (CAS 100836-56-4) is a chemical compound with molecular formula C14H23ClN2O2 and molecular weight 286.1448 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl-[6-methyl-2-(methylcarbamoyloxy)-3-propan-2-ylphenyl]azanium chloride
Also Known As: N-Methylcarbamic acid 6-(dimethylamino)thymyl ester hydrochloride, CARBAMIC ACID, METHYL-, 6-(DIMETHYLAMINO)THYMYL ESTER, HYDROCHLORIDE, n,n,6-trimethyl-2-[(methylcarbamoyl)oxy]-3-(propan-2-yl)anilinium chloride, [2-(Dimethylamino)-3-methyl-6-propan-2-ylphenyl]n-methylcarbamate, dimethyl-[6-methyl-2-(methylcarbamoyloxy)-3-propan-2-ylphenyl]azanium;chloride
Technical Specifications
| Molecular Formula | C14H23ClN2O2 |
| Molecular Weight | 286.1448 g/mol |
| XLogP | -1.38 |
| Topological Polar Surface Area (TPSA) | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.1448 Da |
| Heavy Atoms | 19 |
| Complexity | 279.0 |
| SMILES | CC1=C(C(=C(C=C1)C(C)C)OC(=O)NC)[NH+](C)C.[Cl-] |
| InChIKey | LIVYPQDNJYBCLI-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1061754
Property Insights of RefChem:1061754
The XLogP value of -1.38 indicates that RefChem:1061754 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.8 Ų, RefChem:1061754 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1061754 has 2 hydrogen bond donor(s) and 3 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:1061754?
The CAS number of RefChem:1061754 is 100836-56-4.
What is the molecular formula of RefChem:1061754?
The molecular formula of RefChem:1061754 is C14H23ClN2O2.
What is the molecular weight of RefChem:1061754?
The molecular weight of RefChem:1061754 is 286.1448 g/mol.
Where can I buy RefChem:1061754?
You can request a quote for RefChem:1061754 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1061754?
Yes, CoreyChem provides custom synthesis services for RefChem:1061754 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.