3-butyl-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one
TL;DR: 3-butyl-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one (CAS 689766-57-2) is a chemical compound with molecular formula C16H21N3O2S and molecular weight 319.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-butyl-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one, F0920-6736, 3-butyl-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 3-butyl-6-(morpholin-4-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one, 3-butyl-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
| Molecular Formula | C16H21N3O2S |
|---|---|
| Molecular Weight | 319.14 g/mol |
| LogP | 2.69579 |
| Topological Polar Surface Area | 50.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.13544 |
| Heavy Atoms | 22 |
| Complexity | 775.0351 |
Chemical Identifiers
| CAS Number | 689766-57-2 |
|---|---|
| SMILES | CCCCN1C(=O)C2=C(C=CC(=C2)N3CCOCC3)NC1=S |
Product Overview
3-butyl-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one (CAS 689766-57-2), with molecular formula C16H21N3O2S and molecular weight 319.14 g/mol. IUPAC: 3-butyl-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-butyl-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one
Property Insights of 3-butyl-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one
The XLogP value of 2.69579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-butyl-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one. With a topological polar surface area (TPSA) of 50.26 Ų, 3-butyl-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-butyl-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one 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-butyl-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one?
The CAS number of 3-butyl-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one is 689766-57-2.
What is the molecular formula of 3-butyl-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one?
The molecular formula of 3-butyl-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one is C16H21N3O2S.
What is the molecular weight of 3-butyl-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one?
The molecular weight of 3-butyl-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one is 319.14 g/mol.
Where can I buy 3-butyl-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one?
You can request a quote for 3-butyl-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-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-butyl-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-butyl-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.