VU0218458-4
TL;DR: VU0218458-4 (CAS 896372-94-4) is a chemical compound with molecular formula C22H21F3N4O3 and molecular weight 446.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-1H-quinazoline-2,4-dione
Also Known As: VU0218458-4, 3-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)quinazoline-2,4(1H,3H)-dione, 3-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-1H-quinazoline-2,4-dione, 3-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione, 3-(3-oxo-3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propyl)quinazoline-2,4(1H,3H)-dione
| Molecular Formula | C22H21F3N4O3 |
|---|---|
| Molecular Weight | 446.16 g/mol |
| LogP | 2.4475 |
| Topological Polar Surface Area | 78.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.1566 |
| Heavy Atoms | 32 |
| Complexity | 1257.4912 |
Chemical Identifiers
| CAS Number | 896372-94-4 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CCN3C(=O)C4=CC=CC=C4NC3=O |
Product Overview
VU0218458-4 (CAS 896372-94-4), with molecular formula C22H21F3N4O3 and molecular weight 446.16 g/mol. IUPAC: 3-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-1H-quinazoline-2,4-dione.
Chemical Property Profile of VU0218458-4
Property Insights of VU0218458-4
The XLogP value of 2.4475 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0218458-4. The TPSA of 78.41 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0218458-4. Following Lipinski's Rule of Five, VU0218458-4 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 VU0218458-4?
The CAS number of VU0218458-4 is 896372-94-4.
What is the molecular formula of VU0218458-4?
The molecular formula of VU0218458-4 is C22H21F3N4O3.
What is the molecular weight of VU0218458-4?
The molecular weight of VU0218458-4 is 446.16 g/mol.
Where can I buy VU0218458-4?
You can request a quote for VU0218458-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0218458-4?
Yes, KEHONG BIO provides custom synthesis services for VU0218458-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.