RefChem:168870
TL;DR: RefChem:168870 (CAS 27822-88-4) is a chemical compound with molecular formula C16H23IN2O2 and molecular weight 402.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[2-[4-(dimethylamino)phenyl]ethenyl]-3,4-dimethyl-5H-1,3-oxazol-3-ium-4-yl]methanol iodide
Also Known As: Oxazolium, 2-[2-[4-(dimethylamino)phenyl]ethenyl]-4,5-dihydro-4-(hydroxymethyl)-3,4-dimethyl-, iodide, 2-Oxazolinium, 2-(p-(dimethylamino)styryl)-4-(hydroxymethyl)-3,4-dimethyl-, iodide, Oxazolium, 2-(2-(4-(dimethylamino)phenyl)ethenyl)-4,5-dihydro-4-(hydroxymethyl)-3,4-dimethyl-, iodide (1:1), Oxazolium, 2-[2-[4-(dimethylamino)phenyl]ethenyl]-4,5-dihydro-4-(hydroxymethyl)-3,4-dimethyl-, iodide (1:1), 2-Oxazolinium, 2-[p-(dimethylamino)styryl]-4-(hydroxymethyl)-3,4-dimethyl-, iodide
| Molecular Formula | C16H23IN2O2 |
|---|---|
| Molecular Weight | 402.08 g/mol |
| LogP | -1.41 |
| Topological Polar Surface Area | 35.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.08044 |
| Heavy Atoms | 21 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 27822-88-4 |
|---|---|
| SMILES | CC1(COC(=[N+]1C)C=CC2=CC=C(C=C2)N(C)C)CO.[I-] |
| InChIKey | XECUJUNLRMTVLP-UHFFFAOYSA-M |
Product Overview
RefChem:168870 (CAS 27822-88-4), with molecular formula C16H23IN2O2 and molecular weight 402.08 g/mol. IUPAC: [2-[2-[4-(dimethylamino)phenyl]ethenyl]-3,4-dimethyl-5H-1,3-oxazol-3-ium-4-yl]methanol iodide.
Chemical Property Profile of RefChem:168870
Property Insights of RefChem:168870
The XLogP value of -1.41 indicates that RefChem:168870 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 35.7 Ų, RefChem:168870 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:168870 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
Frequently Asked Questions
What is the CAS number of RefChem:168870?
The CAS number of RefChem:168870 is 27822-88-4.
What is the molecular formula of RefChem:168870?
The molecular formula of RefChem:168870 is C16H23IN2O2.
What is the molecular weight of RefChem:168870?
The molecular weight of RefChem:168870 is 402.08 g/mol.
Where can I buy RefChem:168870?
You can request a quote for RefChem:168870 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:168870?
Yes, KEHONG BIO provides custom synthesis services for RefChem:168870 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.