ChemDiv1_025455
TL;DR: ChemDiv1_025455 (CAS 294877-28-4) is a chemical compound with molecular formula C31H26N4OS and molecular weight 502.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4,4'-bis(4-methylphenyl)-2'-phenylspiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-yl]ethanone
Also Known As: ChemDiv1_025455, 1-[4,4'-bis(4-methylphenyl)-2'-phenylspiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-yl]ethanone, A1685/0071946, 1-[3',4-BIS(4-METHYLPHENYL)-2-PHENYL-2H,3'H-SPIRO[PHTHALAZINE-1,2'-[1,3,4]THIADIAZOL]-5'-YL]ETHAN-1-ONE, 1-[3',4-bis(4-methylphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethanone
| Molecular Formula | C31H26N4OS |
|---|---|
| Molecular Weight | 502.18 g/mol |
| LogP | 6.84224 |
| Topological Polar Surface Area | 48.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 502.18274 |
| Heavy Atoms | 37 |
| Complexity | 1544.6615 |
Chemical Identifiers
| CAS Number | 294877-28-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN(C3(C4=CC=CC=C42)N(N=C(S3)C(=O)C)C5=CC=C(C=C5)C)C6=CC=CC=C6 |
Product Overview
ChemDiv1_025455 (CAS 294877-28-4), with molecular formula C31H26N4OS and molecular weight 502.18 g/mol. IUPAC: 1-[4,4'-bis(4-methylphenyl)-2'-phenylspiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-yl]ethanone.
Chemical Property Profile of ChemDiv1_025455
Property Insights of ChemDiv1_025455
The XLogP value of 6.84224 indicates that ChemDiv1_025455 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.27 Ų, ChemDiv1_025455 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_025455 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 ChemDiv1_025455?
The CAS number of ChemDiv1_025455 is 294877-28-4.
What is the molecular formula of ChemDiv1_025455?
The molecular formula of ChemDiv1_025455 is C31H26N4OS.
What is the molecular weight of ChemDiv1_025455?
The molecular weight of ChemDiv1_025455 is 502.18 g/mol.
Where can I buy ChemDiv1_025455?
You can request a quote for ChemDiv1_025455 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025455?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025455 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.