RefChem:1079082
TL;DR: RefChem:1079082 (CAS 3281-77-4) is a chemical compound with molecular formula C23H28ClN3O3 and molecular weight 429.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-[3-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]oxyethyl]azanium chloride
Also Known As: Benzoic acid, 3-methyl-4-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, 2-(diethylamino)ethyl ester, monohydrochloride, 2-Metil-3-(4-carbossietildietilammino-6-metil-fenil)-4-chinazolone cloridrate [Italian], 3-Methyl-4-(2-methyl-4-oxo-3(4H)-quinazolinyl)benzoic acid 2-(diethylamino)ethyl ester HCl, 2-Metil-3-(4-carbossietildietilammino-6-metil-fenil)-4-chinazolone cloridrate, N-[6-(methylsulfonyl)benzothiazol-2-yl]-2-thienylcarboxamide
| Molecular Formula | C23H28ClN3O3 |
|---|---|
| Molecular Weight | 429.18 g/mol |
| LogP | -0.91 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 429.18192 |
| Heavy Atoms | 30 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 3281-77-4 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)C1=CC(=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C)C.[Cl-] |
| InChIKey | RXTSKKODWDYKED-UHFFFAOYSA-N |
Product Overview
RefChem:1079082 (CAS 3281-77-4), with molecular formula C23H28ClN3O3 and molecular weight 429.18 g/mol. IUPAC: diethyl-[2-[3-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]oxyethyl]azanium chloride.
Chemical Property Profile of RefChem:1079082
Property Insights of RefChem:1079082
The XLogP value of -0.91 indicates that RefChem:1079082 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1079082. Following Lipinski's Rule of Five, RefChem:1079082 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:1079082?
The CAS number of RefChem:1079082 is 3281-77-4.
What is the molecular formula of RefChem:1079082?
The molecular formula of RefChem:1079082 is C23H28ClN3O3.
What is the molecular weight of RefChem:1079082?
The molecular weight of RefChem:1079082 is 429.18 g/mol.
Where can I buy RefChem:1079082?
You can request a quote for RefChem:1079082 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079082?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079082 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.