RefChem:245422
TL;DR: RefChem:245422 (CAS 17656-18-7) is a chemical compound with molecular formula C18H22ClN3O2 and molecular weight 347.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-(4-piperidin-1-ylbut-2-ynyl)quinazoline-2,4-dione;hydrochloride
Also Known As: 2,4(1H,3H)-Quinazolinedione, 3-methyl-1-(4-piperidino-2-butynyl)-, monohydrochloride, 3-Methyl-1-(4-piperidino-2-butynyl)-2,4(1H,3H)-quinazolinedione hydrochloride, 3-methyl-1-(4-piperidin-1-ylbut-2-ynyl)quinazoline-2,4-dione hydrochloride, 3-Methyl-1-[4-(piperidin-1-yl)but-2-yn-1-yl]quinazoline-2,4(1H,3H)-dione--hydrogen chloride (1/1), RefChem:245422
| Molecular Formula | C18H22ClN3O2 |
|---|---|
| Molecular Weight | 347.14 g/mol |
| LogP | 1.6113 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.14005 |
| Heavy Atoms | 24 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 17656-18-7 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2N(C1=O)CC#CCN3CCCCC3.Cl |
| InChIKey | DAMPYIMMVSMYGA-UHFFFAOYSA-N |
Product Overview
RefChem:245422 (CAS 17656-18-7), with molecular formula C18H22ClN3O2 and molecular weight 347.14 g/mol. IUPAC: 3-methyl-1-(4-piperidin-1-ylbut-2-ynyl)quinazoline-2,4-dione;hydrochloride.
Chemical Property Profile of RefChem:245422
Property Insights of RefChem:245422
The XLogP value of 1.6113 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:245422. With a topological polar surface area (TPSA) of 43.9 Ų, RefChem:245422 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:245422 has 1 hydrogen bond donor(s) and 3 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:245422?
The CAS number of RefChem:245422 is 17656-18-7.
What is the molecular formula of RefChem:245422?
The molecular formula of RefChem:245422 is C18H22ClN3O2.
What is the molecular weight of RefChem:245422?
The molecular weight of RefChem:245422 is 347.14 g/mol.
Where can I buy RefChem:245422?
You can request a quote for RefChem:245422 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:245422?
Yes, KEHONG BIO provides custom synthesis services for RefChem:245422 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.