RefChem:1056856
TL;DR: RefChem:1056856 (CAS 139214-97-4) is a chemical compound with molecular formula C17H23ClN2O2 and molecular weight 322.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-1-amine;hydrochloride
Also Known As: 1-Propanamine, N,N-dimethyl-3-(2-(2-(3-methyl-5-isoxazolyl)ethenyl)phenoxy)-, monohydrochloride, (E)-, 1-propanamine,n,n-dimethyl-3-(2-(2-,monohydrochloride, -, 1-Propanamine,N,N-dimethyl-3-(2-(2- -,monohydrochloride, -, 1-Propanamine, N,N-dimethyl-3-(2-(2-(3-methyl-5-isoxazolyl)ethenyl)phe noxy)-, monohydrochloride, (E, N,N-dimethyl-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-1-amine Hydrochloride
| Molecular Formula | C17H23ClN2O2 |
|---|---|
| Molecular Weight | 322.14 g/mol |
| LogP | 3.90572 |
| Topological Polar Surface Area | 38.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 322.1448 |
| Heavy Atoms | 22 |
| Complexity | 593.8498 |
Chemical Identifiers
| CAS Number | 139214-97-4 |
|---|---|
| SMILES | CC1=NOC(=C1)/C=C/C2=CC=CC=C2OCCCN(C)C.Cl |
Product Overview
RefChem:1056856 (CAS 139214-97-4), with molecular formula C17H23ClN2O2 and molecular weight 322.14 g/mol. IUPAC: N,N-dimethyl-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-1-amine;hydrochloride.
Chemical Property Profile of RefChem:1056856
Property Insights of RefChem:1056856
The XLogP value of 3.90572 indicates that RefChem:1056856 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:1056856 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1056856 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1056856?
The CAS number of RefChem:1056856 is 139214-97-4.
What is the molecular formula of RefChem:1056856?
The molecular formula of RefChem:1056856 is C17H23ClN2O2.
What is the molecular weight of RefChem:1056856?
The molecular weight of RefChem:1056856 is 322.14 g/mol.
Where can I buy RefChem:1056856?
You can request a quote for RefChem:1056856 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056856?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056856 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.