4(3H)-Quinazolinone, 2-(S-carbamoylthiomethyl)-3-(o-tolyl)-, hydrochloride
TL;DR: 4(3H)-Quinazolinone, 2-(S-carbamoylthiomethyl)-3-(o-tolyl)-, hydrochloride (CAS 61555-10-0) is a chemical compound with molecular formula C17H16ClN3O2S and molecular weight 361.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]methyl] carbamothioate;hydrochloride
Also Known As: 4(3H)-Quinazolinone, 2-(S-carbamoylthiomethyl)-3-(o-tolyl)-, hydrochloride, 2-(S-Carbamoylthiomethyl)-3-(o-tolyl)-4(3H)-quinazolone hydrochloride, 4(3H)-Quinazolinone, 2-(mercaptomethyl)-3-o-tolyl-, monohydrochloride, S-[[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]methyl] carbamothioate hydrochloride, S-[[3-(2-METHYLPHENYL)-4-OXOQUINAZOLIN-2-YL]METHYL] CARBAMOTHIOATEHYDROCHLORIDE
| Molecular Formula | C17H16ClN3O2S |
|---|---|
| Molecular Weight | 361.07 g/mol |
| LogP | 3.43 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.0652 |
| Heavy Atoms | 24 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 61555-10-0 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CSC(=O)N.Cl |
| InChIKey | LBKHXWVKSDAALR-UHFFFAOYSA-N |
Product Overview
4(3H)-Quinazolinone, 2-(S-carbamoylthiomethyl)-3-(o-tolyl)-, hydrochloride (CAS 61555-10-0), with molecular formula C17H16ClN3O2S and molecular weight 361.07 g/mol. IUPAC: S-[[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]methyl] carbamothioate;hydrochloride.
Chemical Property Profile of 4(3H)-Quinazolinone, 2-(S-carbamoylthiomethyl)-3-(o-tolyl)-, hydrochloride
Property Insights of 4(3H)-Quinazolinone, 2-(S-carbamoylthiomethyl)-3-(o-tolyl)-, hydrochloride
The XLogP value of 3.43 indicates that 4(3H)-Quinazolinone, 2-(S-carbamoylthiomethyl)-3-(o-tolyl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(3H)-Quinazolinone, 2-(S-carbamoylthiomethyl)-3-(o-tolyl)-, hydrochloride. Following Lipinski's Rule of Five, 4(3H)-Quinazolinone, 2-(S-carbamoylthiomethyl)-3-(o-tolyl)-, hydrochloride 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 4(3H)-Quinazolinone, 2-(S-carbamoylthiomethyl)-3-(o-tolyl)-, hydrochloride?
The CAS number of 4(3H)-Quinazolinone, 2-(S-carbamoylthiomethyl)-3-(o-tolyl)-, hydrochloride is 61555-10-0.
What is the molecular formula of 4(3H)-Quinazolinone, 2-(S-carbamoylthiomethyl)-3-(o-tolyl)-, hydrochloride?
The molecular formula of 4(3H)-Quinazolinone, 2-(S-carbamoylthiomethyl)-3-(o-tolyl)-, hydrochloride is C17H16ClN3O2S.
What is the molecular weight of 4(3H)-Quinazolinone, 2-(S-carbamoylthiomethyl)-3-(o-tolyl)-, hydrochloride?
The molecular weight of 4(3H)-Quinazolinone, 2-(S-carbamoylthiomethyl)-3-(o-tolyl)-, hydrochloride is 361.07 g/mol.
Where can I buy 4(3H)-Quinazolinone, 2-(S-carbamoylthiomethyl)-3-(o-tolyl)-, hydrochloride?
You can request a quote for 4(3H)-Quinazolinone, 2-(S-carbamoylthiomethyl)-3-(o-tolyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4(3H)-Quinazolinone, 2-(S-carbamoylthiomethyl)-3-(o-tolyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4(3H)-Quinazolinone, 2-(S-carbamoylthiomethyl)-3-(o-tolyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.