RefChem:1087861
TL;DR: RefChem:1087861 (CAS 139193-91-2) is a chemical compound with molecular formula C18H23ClN2O2 and molecular weight 334.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-[(E)-2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]ethenyl]-1,2-oxazole;hydrochloride
Also Known As: Isoxazole, 3-methyl-5-(2-(2-(2-(1-pyrrolidinyl)ethoxy)phenyl)ethenyl)-, monohydrochloride, (E)-, 3-methyl-5-[(E)-2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]ethenyl]-1,2-oxazole;hydrochloride, 3-methyl-5-[(E)-2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]ethenyl]-1,2-oxazole hydrochloride, RefChem:1087861
| Molecular Formula | C18H23ClN2O2 |
|---|---|
| Molecular Weight | 334.14 g/mol |
| LogP | 4.04982 |
| Topological Polar Surface Area | 38.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.1448 |
| Heavy Atoms | 23 |
| Complexity | 633.4567 |
Chemical Identifiers
| CAS Number | 139193-91-2 |
|---|---|
| SMILES | CC1=NOC(=C1)/C=C/C2=CC=CC=C2OCCN3CCCC3.Cl |
Product Overview
RefChem:1087861 (CAS 139193-91-2), with molecular formula C18H23ClN2O2 and molecular weight 334.14 g/mol. IUPAC: 3-methyl-5-[(E)-2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]ethenyl]-1,2-oxazole;hydrochloride.
Chemical Property Profile of RefChem:1087861
Property Insights of RefChem:1087861
The XLogP value of 4.04982 indicates that RefChem:1087861 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:1087861 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1087861 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:1087861?
The CAS number of RefChem:1087861 is 139193-91-2.
What is the molecular formula of RefChem:1087861?
The molecular formula of RefChem:1087861 is C18H23ClN2O2.
What is the molecular weight of RefChem:1087861?
The molecular weight of RefChem:1087861 is 334.14 g/mol.
Where can I buy RefChem:1087861?
You can request a quote for RefChem:1087861 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1087861?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1087861 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.