CTK4I3272
TL;DR: CTK4I3272 (CAS 4052-18-0) is a chemical compound with molecular formula C25H26Cl2N4O6 and molecular weight 548.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;6-chloro-3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1H-quinazoline-2,4-dione
Also Known As: 6-Chloro-3-(3-(4-m-chlorophenyl-1-piperazinyl)propyl)-2,4(1H,3H)-quinazolinedione maleate, (2Z)-but-2-enedioic acid; 6-chloro-3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione, 2,4(1H,3H)-Quinazolinedione, 6-chloro-3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-, (Z)-2-butenedioate (1:1), 6-Chloro-3-(3-(4-(3-chlorophenyl)piperazin-1-yl)propyl)quinazoline-2,4(1H,3H)-dione maleate, 6-CHLORO-3-[3-[4-(3-CHLOROPHENYL)PIPERAZIN-1-YL]PROPYL]-1H-QUINAZOLINE-2,4-DIONE MALEATE
| Molecular Formula | C25H26Cl2N4O6 |
|---|---|
| Molecular Weight | 548.12 g/mol |
| LogP | 2.9207 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 548.1229 |
| Heavy Atoms | 37 |
| Complexity | 718.0 |
Chemical Identifiers
| CAS Number | 4052-18-0 |
|---|---|
| SMILES | C1CN(CCN1CCCN2C(=O)C3=C(C=CC(=C3)Cl)NC2=O)C4=CC(=CC=C4)Cl.C(=CC(=O)O)C(=O)O |
| InChIKey | DFUDNETVVOCIMC-UHFFFAOYSA-N |
Product Overview
CTK4I3272 (CAS 4052-18-0), with molecular formula C25H26Cl2N4O6 and molecular weight 548.12 g/mol. IUPAC: but-2-enedioic acid;6-chloro-3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1H-quinazoline-2,4-dione.
Chemical Property Profile of CTK4I3272
Property Insights of CTK4I3272
The XLogP value of 2.9207 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK4I3272. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK4I3272. Following Lipinski's Rule of Five, CTK4I3272 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK4I3272?
The CAS number of CTK4I3272 is 4052-18-0.
What is the molecular formula of CTK4I3272?
The molecular formula of CTK4I3272 is C25H26Cl2N4O6.
What is the molecular weight of CTK4I3272?
The molecular weight of CTK4I3272 is 548.12 g/mol.
Where can I buy CTK4I3272?
You can request a quote for CTK4I3272 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4I3272?
Yes, KEHONG BIO provides custom synthesis services for CTK4I3272 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.