RefChem:245413
TL;DR: RefChem:245413 (CAS 4120-74-5) is a chemical compound with molecular formula C24H31ClN4O2 and molecular weight 442.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[6-(4-phenylpiperazin-1-yl)hexyl]-1H-quinazoline-2,4-dione;hydrochloride
Also Known As: 2,4(1H,3H)-Quinazolinedione, 3-(6-(4-phenyl-1-piperazinyl)hexyl)-, monohydrochloride, 3-(6-(4-Phenyl-1-piperazinyl)hexyl)-2,4(1H,3H)-quinazolinedione monohydrochloride, 3-[6-(4-phenylpiperazin-1-yl)hexyl]-1H-quinazoline-2,4-dione hydrochloride, 3-[6-(4-Phenylpiperazin-1-yl)hexyl]quinazoline-2,4(1H,3H)-dione--hydrogen chloride (1/1), RefChem:245413
| Molecular Formula | C24H31ClN4O2 |
|---|---|
| Molecular Weight | 442.21 g/mol |
| LogP | 3.4942 |
| Topological Polar Surface Area | 55.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.21356 |
| Heavy Atoms | 31 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 4120-74-5 |
|---|---|
| SMILES | C1CN(CCN1CCCCCCN2C(=O)C3=CC=CC=C3NC2=O)C4=CC=CC=C4.Cl |
| InChIKey | GIOZSXKWMOBTSS-UHFFFAOYSA-N |
Product Overview
RefChem:245413 (CAS 4120-74-5), with molecular formula C24H31ClN4O2 and molecular weight 442.21 g/mol. IUPAC: 3-[6-(4-phenylpiperazin-1-yl)hexyl]-1H-quinazoline-2,4-dione;hydrochloride.
Chemical Property Profile of RefChem:245413
Property Insights of RefChem:245413
The XLogP value of 3.4942 indicates that RefChem:245413 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:245413 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:245413 has 2 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:245413?
The CAS number of RefChem:245413 is 4120-74-5.
What is the molecular formula of RefChem:245413?
The molecular formula of RefChem:245413 is C24H31ClN4O2.
What is the molecular weight of RefChem:245413?
The molecular weight of RefChem:245413 is 442.21 g/mol.
Where can I buy RefChem:245413?
You can request a quote for RefChem:245413 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:245413?
Yes, KEHONG BIO provides custom synthesis services for RefChem:245413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.