RefChem:283630
TL;DR: RefChem:283630 (CAS 16711-38-9) is a chemical compound with molecular formula C21H28ClN3O3 and molecular weight 405.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(diethylamino)acetyl]-2-methyl-3-phenyl-2H-quinazolin-4-one;hydrate;hydrochloride
Also Known As: 1-(N,N-Diethylglycyl)-2,3-dihydro-2-methyl-3-phenyl-4(1H)-quinazolinone HCl hydrate, 4(1H)-Quinazolinone, 1-(N,N-diethylglycyl)-2,3-dihydro-2-methyl-3-phenyl-, monohydrochloride, hydrate, 1-[2-(Diethylamino)acetyl]-2-methyl-3-phenyl-2H-quinazolin-4-one hydratehydrochloride, 1-[2-(diethylamino)acetyl]-2-methyl-3-phenyl-2H-quinazolin-4-one hydrate hydrochloride, 1-[(Diethylamino)acetyl]-2-methyl-3-phenyl-2,3-dihydroquinazolin-4(1H)-one--hydrogen chloride--water (1/1/1)
| Molecular Formula | C21H28ClN3O3 |
|---|---|
| Molecular Weight | 405.18 g/mol |
| LogP | 2.96 |
| Topological Polar Surface Area | 44.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.18192 |
| Heavy Atoms | 28 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 16711-38-9 |
|---|---|
| SMILES | CCN(CC)CC(=O)N1C(N(C(=O)C2=CC=CC=C21)C3=CC=CC=C3)C.O.Cl |
| InChIKey | XRMLHHBPVPWEMK-UHFFFAOYSA-N |
Product Overview
RefChem:283630 (CAS 16711-38-9), with molecular formula C21H28ClN3O3 and molecular weight 405.18 g/mol. IUPAC: 1-[2-(diethylamino)acetyl]-2-methyl-3-phenyl-2H-quinazolin-4-one;hydrate;hydrochloride.
Chemical Property Profile of RefChem:283630
Property Insights of RefChem:283630
The XLogP value of 2.96 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:283630. With a topological polar surface area (TPSA) of 44.9 Ų, RefChem:283630 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:283630 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:283630?
The CAS number of RefChem:283630 is 16711-38-9.
What is the molecular formula of RefChem:283630?
The molecular formula of RefChem:283630 is C21H28ClN3O3.
What is the molecular weight of RefChem:283630?
The molecular weight of RefChem:283630 is 405.18 g/mol.
Where can I buy RefChem:283630?
You can request a quote for RefChem:283630 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:283630?
Yes, KEHONG BIO provides custom synthesis services for RefChem:283630 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.