![3-[4-(Butan-2-yl)phenyl]-6-chloro-2-sulfanyl-3,4-dihydroquinazolin-4-one structure](/static/products/7330/733030-61-0.webp)
3-[4-(Butan-2-yl)phenyl]-6-chloro-2-sulfanyl-3,4-dihydroquinazolin-4-one
TL;DR: 3-[4-(Butan-2-yl)phenyl]-6-chloro-2-sulfanyl-3,4-dihydroquinazolin-4-one (CAS 733030-61-0) is a chemical compound with molecular formula C18H17ClN2OS and molecular weight 344.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-butan-2-ylphenyl)-6-chloro-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-[4-(butan-2-yl)phenyl]-6-chloro-2-sulfanyl-3,4-dihydroquinazolin-4-one, 3-(4-sec-butylphenyl)-6-chloro-2-mercaptoquinazolin-4(3H)-one, 3-(4-butan-2-ylphenyl)-6-chloro-2-sulfanylidene-1H-quinazolin-4-one, 3-(4-(Sec-butyl)phenyl)-6-chloro-2-mercaptoquinazolin-4(3h)-one, 6-chloro-3-(4-sec-butylphenyl)-2-thioxo-1H-quinazolin-4-one
| Molecular Formula | C18H17ClN2OS |
|---|---|
| Molecular Weight | 344.07 g/mol |
| LogP | 5.21519 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.075 |
| Heavy Atoms | 23 |
| Complexity | 972.9635 |
Chemical Identifiers
| CAS Number | 733030-61-0 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Cl)NC2=S |
Product Overview
3-[4-(Butan-2-yl)phenyl]-6-chloro-2-sulfanyl-3,4-dihydroquinazolin-4-one (CAS 733030-61-0), with molecular formula C18H17ClN2OS and molecular weight 344.07 g/mol. IUPAC: 3-(4-butan-2-ylphenyl)-6-chloro-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-[4-(Butan-2-yl)phenyl]-6-chloro-2-sulfanyl-3,4-dihydroquinazolin-4-one
Property Insights of 3-[4-(Butan-2-yl)phenyl]-6-chloro-2-sulfanyl-3,4-dihydroquinazolin-4-one
The XLogP value of 5.21519 indicates that 3-[4-(Butan-2-yl)phenyl]-6-chloro-2-sulfanyl-3,4-dihydroquinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, 3-[4-(Butan-2-yl)phenyl]-6-chloro-2-sulfanyl-3,4-dihydroquinazolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(Butan-2-yl)phenyl]-6-chloro-2-sulfanyl-3,4-dihydroquinazolin-4-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[4-(Butan-2-yl)phenyl]-6-chloro-2-sulfanyl-3,4-dihydroquinazolin-4-one?
The CAS number of 3-[4-(Butan-2-yl)phenyl]-6-chloro-2-sulfanyl-3,4-dihydroquinazolin-4-one is 733030-61-0.
What is the molecular formula of 3-[4-(Butan-2-yl)phenyl]-6-chloro-2-sulfanyl-3,4-dihydroquinazolin-4-one?
The molecular formula of 3-[4-(Butan-2-yl)phenyl]-6-chloro-2-sulfanyl-3,4-dihydroquinazolin-4-one is C18H17ClN2OS.
What is the molecular weight of 3-[4-(Butan-2-yl)phenyl]-6-chloro-2-sulfanyl-3,4-dihydroquinazolin-4-one?
The molecular weight of 3-[4-(Butan-2-yl)phenyl]-6-chloro-2-sulfanyl-3,4-dihydroquinazolin-4-one is 344.07 g/mol.
Where can I buy 3-[4-(Butan-2-yl)phenyl]-6-chloro-2-sulfanyl-3,4-dihydroquinazolin-4-one?
You can request a quote for 3-[4-(Butan-2-yl)phenyl]-6-chloro-2-sulfanyl-3,4-dihydroquinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(Butan-2-yl)phenyl]-6-chloro-2-sulfanyl-3,4-dihydroquinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(Butan-2-yl)phenyl]-6-chloro-2-sulfanyl-3,4-dihydroquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.