RefChem:245428
TL;DR: RefChem:245428 (CAS 13666-69-8) is a chemical compound with molecular formula C23H29Cl3N4O2 and molecular weight 498.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-[5-(4-phenylpiperazin-1-yl)pentyl]-1H-quinazoline-2,4-dione;dihydrochloride
Also Known As: 2,4(1H,3H)-Quinazolinedione, 6-chloro-3-(5-(4-phenyl-1-piperazinyl)pentyl)-, dihydrochloride, 6-Chloro-3-(5-(4-phenyl-1-piperazinyl)pentyl)-2,4(1H,3H)-quinazolinedione dihydrochloride, 6-chloro-3-[5-(4-phenylpiperazin-1-yl)pentyl]-1H-quinazoline-2,4-dione dihydrochloride, 6-Chloro-3-[5-(4-phenylpiperazin-1-yl)pentyl]quinazoline-2,4(1H,3H)-dione--hydrogen chloride (1/2), RefChem:245428
| Molecular Formula | C23H29Cl3N4O2 |
|---|---|
| Molecular Weight | 498.14 g/mol |
| LogP | 4.1793 |
| Topological Polar Surface Area | 55.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.13562 |
| Heavy Atoms | 32 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 13666-69-8 |
|---|---|
| SMILES | C1CN(CCN1CCCCCN2C(=O)C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4.Cl.Cl |
| InChIKey | BSOAQGFTHUPACD-UHFFFAOYSA-N |
Product Overview
RefChem:245428 (CAS 13666-69-8), with molecular formula C23H29Cl3N4O2 and molecular weight 498.14 g/mol. IUPAC: 6-chloro-3-[5-(4-phenylpiperazin-1-yl)pentyl]-1H-quinazoline-2,4-dione;dihydrochloride.
Chemical Property Profile of RefChem:245428
Property Insights of RefChem:245428
The XLogP value of 4.1793 indicates that RefChem:245428 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.9 Ų, RefChem:245428 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:245428 has 3 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:245428?
The CAS number of RefChem:245428 is 13666-69-8.
What is the molecular formula of RefChem:245428?
The molecular formula of RefChem:245428 is C23H29Cl3N4O2.
What is the molecular weight of RefChem:245428?
The molecular weight of RefChem:245428 is 498.14 g/mol.
Where can I buy RefChem:245428?
You can request a quote for RefChem:245428 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:245428?
Yes, KEHONG BIO provides custom synthesis services for RefChem:245428 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.