RefChem:283657
TL;DR: RefChem:283657 (CAS 16711-39-0) is a chemical compound with molecular formula C22H28ClN3O3 and molecular weight 417.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-phenyl-1-(2-piperidin-1-ylacetyl)-2H-quinazolin-4-one;hydrate;hydrochloride
Also Known As: 2,3-Dihydro-2-methyl-3-phenyl-1-(piperidinoacetyl)-4(1H)-quinazolinone HCl hydrate, 4(1H)-Quinazolinone, 2,3-dihydro-2-methyl-3-phenyl-1-(piperidinoacetyl)-, monohydrochloride, hydrate, 2-Methyl-3-phenyl-1-(2-piperidin-1-ylacetyl)-2H-quinazolin-4-one hydratehydrochloride, 2-methyl-3-phenyl-1-(2-piperidin-1-ylacetyl)-2H-quinazolin-4-one hydrate hydrochloride, 2-Methyl-3-phenyl-1-[(piperidin-1-yl)acetyl]-2,3-dihydroquinazolin-4(1H)-one--hydrogen chloride--water (1/1/1)
| Molecular Formula | C22H28ClN3O3 |
|---|---|
| Molecular Weight | 417.18 g/mol |
| LogP | 3.11 |
| Topological Polar Surface Area | 44.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.18192 |
| Heavy Atoms | 29 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 16711-39-0 |
|---|---|
| SMILES | CC1N(C(=O)C2=CC=CC=C2N1C(=O)CN3CCCCC3)C4=CC=CC=C4.O.Cl |
| InChIKey | HNILUTUMKDATLF-UHFFFAOYSA-N |
Product Overview
RefChem:283657 (CAS 16711-39-0), with molecular formula C22H28ClN3O3 and molecular weight 417.18 g/mol. IUPAC: 2-methyl-3-phenyl-1-(2-piperidin-1-ylacetyl)-2H-quinazolin-4-one;hydrate;hydrochloride.
Chemical Property Profile of RefChem:283657
Property Insights of RefChem:283657
The XLogP value of 3.11 indicates that RefChem:283657 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.9 Ų, RefChem:283657 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:283657 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:283657?
The CAS number of RefChem:283657 is 16711-39-0.
What is the molecular formula of RefChem:283657?
The molecular formula of RefChem:283657 is C22H28ClN3O3.
What is the molecular weight of RefChem:283657?
The molecular weight of RefChem:283657 is 417.18 g/mol.
Where can I buy RefChem:283657?
You can request a quote for RefChem:283657 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:283657?
Yes, KEHONG BIO provides custom synthesis services for RefChem:283657 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.