N-butyl-4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
TL;DR: N-butyl-4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide (CAS 403727-71-9) 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.
N-butyl-4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
Also Known As: N-butyl-4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide, F6548-4295, N-butyl-4-oxo-3-propyl-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide, N-butyl-4-oxo-3-propyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
| Molecular Formula | C16H21N3O2S |
|---|---|
| Molecular Weight | 319.14 g/mol |
| LogP | 2.99899 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 319.13544 |
| Heavy Atoms | 22 |
| Complexity | 792.058 |
Chemical Identifiers
| CAS Number | 403727-71-9 |
|---|---|
| SMILES | CCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC |
Product Overview
N-butyl-4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide (CAS 403727-71-9), with molecular formula C16H21N3O2S and molecular weight 319.14 g/mol. IUPAC: N-butyl-4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide.
Chemical Property Profile of N-butyl-4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
Property Insights of N-butyl-4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
The XLogP value of 2.99899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide. The TPSA of 66.89 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyl-4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide. Following Lipinski's Rule of Five, N-butyl-4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide has 2 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 N-butyl-4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide?
The CAS number of N-butyl-4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide is 403727-71-9.
What is the molecular formula of N-butyl-4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide?
The molecular formula of N-butyl-4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide is C16H21N3O2S.
What is the molecular weight of N-butyl-4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide?
The molecular weight of N-butyl-4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide is 319.14 g/mol.
Where can I buy N-butyl-4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide?
You can request a quote for N-butyl-4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.