RefChem:118729
TL;DR: RefChem:118729 (CAS 63123-28-4) is a chemical compound with molecular formula C19H23IN2O and molecular weight 422.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethenyl]-1,3-benzoxazol-3-ium iodide
Also Known As: 3-Ethyl-2-(2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)vinyl)benzoxazolinium iodide, Benzoxazolium, 3-ethyl-2-(2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethenyl)-, iodide, Benzoxazolium, 3-ethyl-2-(2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethenyl)-, iodide (1:1), Benzoxazolium, 3-ethyl-2-[2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethenyl]-, iodide (1:1), 3-ethyl-2-[2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)vinyl]benzoxazolinium iodide
| Molecular Formula | C19H23IN2O |
|---|---|
| Molecular Weight | 422.09 g/mol |
| LogP | 1.35 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.0855 |
| Heavy Atoms | 23 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 63123-28-4 |
|---|---|
| SMILES | CCN1C(=CC(=C1C)C=CC2=[N+](C3=CC=CC=C3O2)CC)C.[I-] |
| InChIKey | XWMRSYIAYNAIJX-UHFFFAOYSA-M |
Product Overview
RefChem:118729 (CAS 63123-28-4), with molecular formula C19H23IN2O and molecular weight 422.09 g/mol. IUPAC: 3-ethyl-2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethenyl]-1,3-benzoxazol-3-ium iodide.
Chemical Property Profile of RefChem:118729
Property Insights of RefChem:118729
The XLogP value of 1.35 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:118729. With a topological polar surface area (TPSA) of 22.0 Ų, RefChem:118729 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:118729 has 0 hydrogen bond donor(s) and 2 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:118729?
The CAS number of RefChem:118729 is 63123-28-4.
What is the molecular formula of RefChem:118729?
The molecular formula of RefChem:118729 is C19H23IN2O.
What is the molecular weight of RefChem:118729?
The molecular weight of RefChem:118729 is 422.09 g/mol.
Where can I buy RefChem:118729?
You can request a quote for RefChem:118729 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118729?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118729 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.