ChemDiv1_013060
TL;DR: ChemDiv1_013060 (CAS 451465-24-0) is a chemical compound with molecular formula C26H23F3N4O4S and molecular weight 544.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(furan-2-ylmethyl)-4-[4-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanylquinazolin-3-yl]butanamide
Also Known As: ChemDiv1_013060, F0916-5148, N-[(furan-2-yl)methyl]-4-{4-oxo-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-3,4-dihydroquinazolin-3-yl}butanamide, N-(furan-2-ylmethyl)-4-[4-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanylquinazolin-3-yl]butanamide, N-(2-furylmethyl)-4-[4-oxo-2-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)thio]quinazolin-3(4H)-yl]butanamide
| Molecular Formula | C26H23F3N4O4S |
|---|---|
| Molecular Weight | 544.14 g/mol |
| LogP | 4.8357 |
| Topological Polar Surface Area | 106.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 544.1392 |
| Heavy Atoms | 38 |
| Complexity | 1486.1274 |
Chemical Identifiers
| CAS Number | 451465-24-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)CCCC(=O)NCC4=CC=CO4 |
Product Overview
ChemDiv1_013060 (CAS 451465-24-0), with molecular formula C26H23F3N4O4S and molecular weight 544.14 g/mol. IUPAC: N-(furan-2-ylmethyl)-4-[4-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanylquinazolin-3-yl]butanamide.
Chemical Property Profile of ChemDiv1_013060
Property Insights of ChemDiv1_013060
The XLogP value of 4.8357 indicates that ChemDiv1_013060 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.23 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013060. Following Lipinski's Rule of Five, ChemDiv1_013060 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013060?
The CAS number of ChemDiv1_013060 is 451465-24-0.
What is the molecular formula of ChemDiv1_013060?
The molecular formula of ChemDiv1_013060 is C26H23F3N4O4S.
What is the molecular weight of ChemDiv1_013060?
The molecular weight of ChemDiv1_013060 is 544.14 g/mol.
Where can I buy ChemDiv1_013060?
You can request a quote for ChemDiv1_013060 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013060?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013060 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.