(3-Allyl-6-methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid
TL;DR: (3-Allyl-6-methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid (CAS 886500-72-7) is a chemical compound with molecular formula C14H14N2O3S and molecular weight 290.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-methyl-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetic acid
Also Known As: BB 0261259, (3-Allyl-6-methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid, 2-(6-methyl-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetic acid, 2-(6-methyl-4-oxo-3-prop-2-enyl-quinazolin-2-yl)sulfanylacetic Acid, {[6-Methyl-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetic acid
| Molecular Formula | C14H14N2O3S |
|---|---|
| Molecular Weight | 290.07 g/mol |
| LogP | 2.06762 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.0725 |
| Heavy Atoms | 20 |
| Complexity | 737.01184 |
Chemical Identifiers
| CAS Number | 886500-72-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(N(C2=O)CC=C)SCC(=O)O |
Product Overview
(3-Allyl-6-methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid (CAS 886500-72-7), with molecular formula C14H14N2O3S and molecular weight 290.07 g/mol. IUPAC: 2-(6-methyl-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetic acid.
Chemical Property Profile of (3-Allyl-6-methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid
Property Insights of (3-Allyl-6-methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid
The XLogP value of 2.06762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Allyl-6-methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Allyl-6-methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid. Following Lipinski's Rule of Five, (3-Allyl-6-methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid has 1 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 (3-Allyl-6-methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid?
The CAS number of (3-Allyl-6-methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid is 886500-72-7.
What is the molecular formula of (3-Allyl-6-methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid?
The molecular formula of (3-Allyl-6-methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid is C14H14N2O3S.
What is the molecular weight of (3-Allyl-6-methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid?
The molecular weight of (3-Allyl-6-methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid is 290.07 g/mol.
Where can I buy (3-Allyl-6-methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid?
You can request a quote for (3-Allyl-6-methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Allyl-6-methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (3-Allyl-6-methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.