RefChem:1084312
TL;DR: RefChem:1084312 (CAS 139193-94-5) is a chemical compound with molecular formula C16H21ClN2O2 and molecular weight 308.12915 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-dimethyl-2-[4-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride
Also Known As: Ethanamine, N,N-dimethyl-2-(4-(2-(3-methyl-5-isoxazolyl)ethenyl)phenoxy)-, monohydrochloride,(E)-, n,n-dimethyl-2-[4-[-2- ethenyl]phenoxy]ethanaminehydrochloride, N,N-dimethyl-2-[4-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride, N,N-dimethyl-2-[4-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine hydrochloride
Technical Specifications
| Molecular Formula | C16H21ClN2O2 |
| Molecular Weight | 308.12915 g/mol |
| XLogP | 3.51562 |
| Topological Polar Surface Area (TPSA) | 38.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 308.12915 Da |
| Heavy Atoms | 21 |
| Complexity | 299.0 |
| SMILES | CC1=NOC(=C1)/C=C/C2=CC=C(C=C2)OCCN(C)C.Cl |
| InChIKey | VDUFLVHEMUAMKV-MLBSPLJJSA-N |
Chemical Property Profile of RefChem:1084312
Property Insights of RefChem:1084312
The XLogP value of 3.51562 indicates that RefChem:1084312 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.5 Ų, RefChem:1084312 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1084312 has 1 hydrogen bond donor(s) and 4 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:1084312?
The CAS number of RefChem:1084312 is 139193-94-5.
What is the molecular formula of RefChem:1084312?
The molecular formula of RefChem:1084312 is C16H21ClN2O2.
What is the molecular weight of RefChem:1084312?
The molecular weight of RefChem:1084312 is 308.12915 g/mol.
Where can I buy RefChem:1084312?
You can request a quote for RefChem:1084312 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1084312?
Yes, CoreyChem provides custom synthesis services for RefChem:1084312 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.