3-benzyl-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide
TL;DR: 3-benzyl-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide (CAS 403719-90-4) is a chemical compound with molecular formula C28H21N3O3S and molecular weight 479.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide
Also Known As: SDCCGSBI-0659406.P001, F0912-2033, 3-benzyl-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide, 3-benzyl-4-oxo-N-(4-phenoxyphenyl)-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide, 3-benzyl-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
| Molecular Formula | C28H21N3O3S |
|---|---|
| Molecular Weight | 479.13 g/mol |
| LogP | 6.15199 |
| Topological Polar Surface Area | 76.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.13037 |
| Heavy Atoms | 35 |
| Complexity | 1609.8059 |
Chemical Identifiers
| CAS Number | 403719-90-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)NC2=S |
Product Overview
3-benzyl-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide (CAS 403719-90-4), with molecular formula C28H21N3O3S and molecular weight 479.13 g/mol. IUPAC: 3-benzyl-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide.
Chemical Property Profile of 3-benzyl-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide
Property Insights of 3-benzyl-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide
The XLogP value of 6.15199 indicates that 3-benzyl-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide. Following Lipinski's Rule of Five, 3-benzyl-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-benzyl-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide?
The CAS number of 3-benzyl-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide is 403719-90-4.
What is the molecular formula of 3-benzyl-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide?
The molecular formula of 3-benzyl-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide is C28H21N3O3S.
What is the molecular weight of 3-benzyl-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide?
The molecular weight of 3-benzyl-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide is 479.13 g/mol.
Where can I buy 3-benzyl-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide?
You can request a quote for 3-benzyl-4-oxo-N-(4-phenoxyphenyl)-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 3-benzyl-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.