C31H23N5OS
TL;DR: C31H23N5OS (CAS 74796-91-1) is a chemical compound with molecular formula C31H23N5OS and molecular weight 513.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(N-phenylanilino)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-phenylethenyl)quinazolin-4-one
Also Known As: 3-(5-((Diphenylamino)methyl)-1,3,4-thiadiazol-2-yl)-2-styrylquinazolin-4(3H)-one, 3-(5-((Diphenylamino)methyl)-1,3,4-thiadiazol-2-yl)-2-(2-phenylethenyl)-4(3H)-quinazolinone, 3-{5-[(diphenylamino)methyl]-1,3,4-thiadiazol-2-yl}-2-[(1E)-2-phenylethenyl]-3,4-dihydroquinazolin-4-one, 4(3H)-Quinazolinone, 3-(5-((diphenylamino)methyl)-1,3,4-thiadiazol-2-yl)-2-(2-phenylethenyl)-, 4(3H)-Quinazolinone,3-[5-[(diphenylamino)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-phenylethenyl)-
| Molecular Formula | C31H23N5OS |
|---|---|
| Molecular Weight | 513.16 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 513.16235 |
| Heavy Atoms | 38 |
| Complexity | 827.0 |
Chemical Identifiers
| CAS Number | 74796-91-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3C(=O)N2C4=NN=C(S4)CN(C5=CC=CC=C5)C6=CC=CC=C6 |
| InChIKey | WYZJISGSCYROFA-UHFFFAOYSA-N |
Product Overview
C31H23N5OS (CAS 74796-91-1), with molecular formula C31H23N5OS and molecular weight 513.16 g/mol. IUPAC: 3-[5-[(N-phenylanilino)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-phenylethenyl)quinazolin-4-one.
Chemical Property Profile of C31H23N5OS
Property Insights of C31H23N5OS
The XLogP value of 6.5 indicates that C31H23N5OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for C31H23N5OS. Following Lipinski's Rule of Five, C31H23N5OS has 0 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 C31H23N5OS?
The CAS number of C31H23N5OS is 74796-91-1.
What is the molecular formula of C31H23N5OS?
The molecular formula of C31H23N5OS is C31H23N5OS.
What is the molecular weight of C31H23N5OS?
The molecular weight of C31H23N5OS is 513.16 g/mol.
Where can I buy C31H23N5OS?
You can request a quote for C31H23N5OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C31H23N5OS?
Yes, KEHONG BIO provides custom synthesis services for C31H23N5OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.