RefChem:368822
TL;DR: RefChem:368822 (CAS 16809-61-3) is a chemical compound with molecular formula C14H22Br2ClNO and molecular weight 412.97568 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)-N,N-dimethylethanamine;hydrochloride
Also Known As: WV 0021, Phenetole, 4,6-dibromo-beta-(N,N-dimethylamino)-2-isopropyl-5-methyl-, hydrochloride, p-Cymene, 2,6-dibromo-3-(2-(dimethylamino)ethoxy)-, hydrochloride, 4,6-Dibromo-beta-(N,N-dimethylamino)-2-isopropyl-5-methylphenetole hydrochloride, Ethylamine, 2-[(2,6-dibromothymyl)oxy]-N,N-dimethyl-, hydrochloride
Technical Specifications
| Molecular Formula | C14H22Br2ClNO |
| Molecular Weight | 412.97568 g/mol |
| XLogP | 5.00562 |
| Topological Polar Surface Area (TPSA) | 12.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.97568 Da |
| Heavy Atoms | 19 |
| Complexity | 248.0 |
| SMILES | CC1=C(C=C(C(=C1Br)OCCN(C)C)C(C)C)Br.Cl |
| InChIKey | PMOUBZDLBNQHJZ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:368822
Property Insights of RefChem:368822
The XLogP value of 5.00562 indicates that RefChem:368822 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, RefChem:368822 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:368822 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:368822?
The CAS number of RefChem:368822 is 16809-61-3.
What is the molecular formula of RefChem:368822?
The molecular formula of RefChem:368822 is C14H22Br2ClNO.
What is the molecular weight of RefChem:368822?
The molecular weight of RefChem:368822 is 412.97568 g/mol.
Where can I buy RefChem:368822?
You can request a quote for RefChem:368822 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:368822?
Yes, CoreyChem provides custom synthesis services for RefChem:368822 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.