RefChem:1051974
TL;DR: RefChem:1051974 (CAS 152168-00-8) is a chemical compound with molecular formula C19H18N3O3+ and molecular weight 336.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]phenyl]-2H-oxadiazol-3-ium-5-one
Also Known As: 5-Fluoro-8-nitro-quinoline, 3-(4-(3-(4-(Dimethylamino)phenyl)-1-oxo-2-propenyl)phenyl)-5-hydroxy-1,2,3-oxadiazolium, 1,2,3-Oxadiazolium, 3-(4-(3-(4-(dimethylamino)phenyl)-1-oxo-2-propenyl)phenyl)-5-hydroxy-, 3-[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]phenyl]-2H-oxadiazol-3-ium-5-one, 1,2,3-Oxadiazolium, 3-(4-(3-(4-(dimethylamino)phenyl)-1-oxo-2-propenyl )phenyl)-5-hydroxy-
| Molecular Formula | C19H18N3O3+ |
|---|---|
| Molecular Weight | 336.13 g/mol |
| LogP | 2.2067 |
| Topological Polar Surface Area | 70.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.13483 |
| Heavy Atoms | 25 |
| Complexity | 948.58435 |
Chemical Identifiers
| CAS Number | 152168-00-8 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)[N+]3=CC(=O)ON3 |
Product Overview
RefChem:1051974 (CAS 152168-00-8), with molecular formula C19H18N3O3+ and molecular weight 336.13 g/mol. IUPAC: 3-[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]phenyl]-2H-oxadiazol-3-ium-5-one.
Chemical Property Profile of RefChem:1051974
Property Insights of RefChem:1051974
The XLogP value of 2.2067 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1051974. The TPSA of 70.19 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1051974. Following Lipinski's Rule of Five, RefChem:1051974 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:1051974?
The CAS number of RefChem:1051974 is 152168-00-8.
What is the molecular formula of RefChem:1051974?
The molecular formula of RefChem:1051974 is C19H18N3O3+.
What is the molecular weight of RefChem:1051974?
The molecular weight of RefChem:1051974 is 336.13 g/mol.
Where can I buy RefChem:1051974?
You can request a quote for RefChem:1051974 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1051974?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1051974 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.