RefChem:327416
TL;DR: RefChem:327416 (CAS 2532-92-5) is a chemical compound with molecular formula C22H26ClN3O3 and molecular weight 415.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate;hydrochloride
Also Known As: Benzoic acid, 4-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, 2-(diethylamino)ethyl ester, hydrochloride, 2-Metil-3-(4-carbossietildietilammino-fenil)-4-chinazolone HCl, 2-Metil-3-(4-carbossietildietilammino-fenil)-4-chinazolone HCl [Italian], 2-diethylaminoethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate hydrochloride, 2-(Diethylamino)ethyl 4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoate--hydrogen chloride (1/1)
| Molecular Formula | C22H26ClN3O3 |
|---|---|
| Molecular Weight | 415.17 g/mol |
| LogP | 3.61452 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 415.16626 |
| Heavy Atoms | 29 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 2532-92-5 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C.Cl |
| InChIKey | HDZGCOJWDSXALX-UHFFFAOYSA-N |
Product Overview
RefChem:327416 (CAS 2532-92-5), with molecular formula C22H26ClN3O3 and molecular weight 415.17 g/mol. IUPAC: 2-(diethylamino)ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate;hydrochloride.
Chemical Property Profile of RefChem:327416
Property Insights of RefChem:327416
The XLogP value of 3.61452 indicates that RefChem:327416 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:327416. Following Lipinski's Rule of Five, RefChem:327416 has 1 hydrogen bond donor(s) and 5 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:327416?
The CAS number of RefChem:327416 is 2532-92-5.
What is the molecular formula of RefChem:327416?
The molecular formula of RefChem:327416 is C22H26ClN3O3.
What is the molecular weight of RefChem:327416?
The molecular weight of RefChem:327416 is 415.17 g/mol.
Where can I buy RefChem:327416?
You can request a quote for RefChem:327416 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327416?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327416 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.