RefChem:245427
TL;DR: RefChem:245427 (CAS 4777-45-1) is a chemical compound with molecular formula C22H26Cl2N4O2 and molecular weight 448.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-1-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione;hydrochloride
Also Known As: 2,4(1H,3H)-Quinazolinedione, 6-chloro-1-methyl-3-(3-(4-phenyl-1-piperazinyl)propyl)-, monohydrochloride, 6-Chloro-1-methyl-3-(3-(4-phenyl-1-piperazinyl)propyl)-2,4-(1H,3H)-quinazolinedione HCl, 6-chloro-1-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione hydrochloride, 6-Chloro-1-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4(1H,3H)-dione--hydrogen chloride (1/1), RefChem:245427
| Molecular Formula | C22H26Cl2N4O2 |
|---|---|
| Molecular Weight | 448.14 g/mol |
| LogP | 2.9877 |
| Topological Polar Surface Area | 47.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.14328 |
| Heavy Atoms | 30 |
| Complexity | 589.0 |
Chemical Identifiers
| CAS Number | 4777-45-1 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)Cl)C(=O)N(C1=O)CCCN3CCN(CC3)C4=CC=CC=C4.Cl |
| InChIKey | HSHNAZRCFVLRID-UHFFFAOYSA-N |
Product Overview
RefChem:245427 (CAS 4777-45-1), with molecular formula C22H26Cl2N4O2 and molecular weight 448.14 g/mol. IUPAC: 6-chloro-1-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione;hydrochloride.
Chemical Property Profile of RefChem:245427
Property Insights of RefChem:245427
The XLogP value of 2.9877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:245427. With a topological polar surface area (TPSA) of 47.1 Ų, RefChem:245427 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:245427 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 RefChem:245427?
The CAS number of RefChem:245427 is 4777-45-1.
What is the molecular formula of RefChem:245427?
The molecular formula of RefChem:245427 is C22H26Cl2N4O2.
What is the molecular weight of RefChem:245427?
The molecular weight of RefChem:245427 is 448.14 g/mol.
Where can I buy RefChem:245427?
You can request a quote for RefChem:245427 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:245427?
Yes, KEHONG BIO provides custom synthesis services for RefChem:245427 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.