RefChem:245412
TL;DR: RefChem:245412 (CAS 4166-39-6) is a chemical compound with molecular formula C23H28Cl2N4O2 and molecular weight 462.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-1H-quinazoline-2,4-dione;hydrochloride
Also Known As: 2,4(1H,3H)-Quinazolinedione, 3-(5-(4-(3-chlorophenyl)-1-piperazinyl)pentyl)-, monohydrochloride, 3-(5-(4-m-Chlorophenyl-1-piperazinyl)pentyl)-2,4(1H,3H)-quinazolinedione hydrochloride, 3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-1H-quinazoline-2,4-dione hydrochloride, 3-{5-[4-(3-Chlorophenyl)piperazin-1-yl]pentyl}quinazoline-2,4(1H,3H)-dione--hydrogen chloride (1/1), RefChem:245412
| Molecular Formula | C23H28Cl2N4O2 |
|---|---|
| Molecular Weight | 462.16 g/mol |
| LogP | 3.7575 |
| Topological Polar Surface Area | 55.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 462.15894 |
| Heavy Atoms | 31 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 4166-39-6 |
|---|---|
| SMILES | C1CN(CCN1CCCCCN2C(=O)C3=CC=CC=C3NC2=O)C4=CC(=CC=C4)Cl.Cl |
| InChIKey | NWSIPOPCFLGIAA-UHFFFAOYSA-N |
Product Overview
RefChem:245412 (CAS 4166-39-6), with molecular formula C23H28Cl2N4O2 and molecular weight 462.16 g/mol. IUPAC: 3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-1H-quinazoline-2,4-dione;hydrochloride.
Chemical Property Profile of RefChem:245412
Property Insights of RefChem:245412
The XLogP value of 3.7575 indicates that RefChem:245412 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:245412 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:245412 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:245412?
The CAS number of RefChem:245412 is 4166-39-6.
What is the molecular formula of RefChem:245412?
The molecular formula of RefChem:245412 is C23H28Cl2N4O2.
What is the molecular weight of RefChem:245412?
The molecular weight of RefChem:245412 is 462.16 g/mol.
Where can I buy RefChem:245412?
You can request a quote for RefChem:245412 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:245412?
Yes, KEHONG BIO provides custom synthesis services for RefChem:245412 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.