RefChem:1080792
TL;DR: RefChem:1080792 (CAS 2519-63-3) is a chemical compound with molecular formula C18H18ClN3O3 and molecular weight 359.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2-(2-methyl-4-oxo-3H-quinazolin-3-ium-3-yl)phenyl]carbamate chloride
Also Known As: B 251, B-251, Ethyl o-(2-methyl-3-(4(3H)-quinazolinonyl))carbanilate hydrochloride, 2-Methyl-3-(2'-aethoxycarbonylaminophenyl)chinazolinone-(4) hydrochlorid [German], Carbanilic acid, o-(2-methyl-3-(4(3H)-quinazolinonyl))-, ethyl ester, hydrochloride
| Molecular Formula | C18H18ClN3O3 |
|---|---|
| Molecular Weight | 359.10 g/mol |
| LogP | -0.32 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.10367 |
| Heavy Atoms | 25 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 2519-63-3 |
|---|---|
| SMILES | CCOC(=O)NC1=CC=CC=C1[NH+]2C(=NC3=CC=CC=C3C2=O)C.[Cl-] |
| InChIKey | NMJPPQDVWNDNBX-UHFFFAOYSA-N |
Product Overview
RefChem:1080792 (CAS 2519-63-3), with molecular formula C18H18ClN3O3 and molecular weight 359.10 g/mol. IUPAC: ethyl N-[2-(2-methyl-4-oxo-3H-quinazolin-3-ium-3-yl)phenyl]carbamate chloride.
Chemical Property Profile of RefChem:1080792
Property Insights of RefChem:1080792
The XLogP value of -0.32 indicates that RefChem:1080792 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1080792. Following Lipinski's Rule of Five, RefChem:1080792 has 2 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:1080792?
The CAS number of RefChem:1080792 is 2519-63-3.
What is the molecular formula of RefChem:1080792?
The molecular formula of RefChem:1080792 is C18H18ClN3O3.
What is the molecular weight of RefChem:1080792?
The molecular weight of RefChem:1080792 is 359.10 g/mol.
Where can I buy RefChem:1080792?
You can request a quote for RefChem:1080792 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1080792?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1080792 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.