4-Isopropylthioquinazoline
TL;DR: 4-Isopropylthioquinazoline (CAS 331722-34-0) is a chemical compound with molecular formula C11H12N2S and molecular weight 204.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-propan-2-ylsulfanylquinazoline
Also Known As: 4-Isopropylthioquinazoline, 4-(Isopropylthio)quinazoline, 4-isopropylsulfanylquinazoline, 4-propan-2-ylsulfanylquinazoline, 4-(propan-2-ylsulfanyl)quinazoline
| Molecular Formula | C11H12N2S |
|---|---|
| Molecular Weight | 204.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.07211 |
| Heavy Atoms | 14 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 331722-34-0 |
|---|---|
| SMILES | CC(C)SC1=NC=NC2=CC=CC=C21 |
| InChIKey | XPPONCPXZPXFEL-UHFFFAOYSA-N |
Product Overview
4-Isopropylthioquinazoline (CAS 331722-34-0), with molecular formula C11H12N2S and molecular weight 204.07 g/mol. IUPAC: 4-propan-2-ylsulfanylquinazoline.
Chemical Property Profile of 4-Isopropylthioquinazoline
Property Insights of 4-Isopropylthioquinazoline
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isopropylthioquinazoline. With a topological polar surface area (TPSA) of 51.1 Ų, 4-Isopropylthioquinazoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isopropylthioquinazoline has 0 hydrogen bond donor(s) and 3 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-Isopropylthioquinazoline?
The CAS number of 4-Isopropylthioquinazoline is 331722-34-0.
What is the molecular formula of 4-Isopropylthioquinazoline?
The molecular formula of 4-Isopropylthioquinazoline is C11H12N2S.
What is the molecular weight of 4-Isopropylthioquinazoline?
The molecular weight of 4-Isopropylthioquinazoline is 204.07 g/mol.
Where can I buy 4-Isopropylthioquinazoline?
You can request a quote for 4-Isopropylthioquinazoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isopropylthioquinazoline?
Yes, KEHONG BIO provides custom synthesis services for 4-Isopropylthioquinazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.