ChemDiv1_025958
TL;DR: ChemDiv1_025958 (CAS 5683-86-3) is a chemical compound with molecular formula C36H28N2OS2 and molecular weight 568.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3',3'-bis(4-methylphenyl)-4-phenylspiro[1,3,4-thiadiazole-5,1'-2-benzothiophene]-2-yl]-phenylmethanone
Also Known As: ChemDiv1_025958, A2085/0087667, [3',3'-bis(4-methylphenyl)-4-phenylspiro[1,3,4-thiadiazole-5,1'-2-benzothiophene]-2-yl]-phenylmethanone, Gona-1,3,5(10)-trien-17-ol, 13-ethyl-3-methoxy-, (8.alpha.,17.beta.)-(.+.)-, [3,3-Bis(4-methylphenyl)-3'-phenyl-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl](phenyl)methanone
| Molecular Formula | C36H28N2OS2 |
|---|---|
| Molecular Weight | 568.16 g/mol |
| LogP | 8.90224 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 568.1643 |
| Heavy Atoms | 41 |
| Complexity | 1721.4106 |
Chemical Identifiers
| CAS Number | 5683-86-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2(C3=CC=CC=C3C4(S2)N(N=C(S4)C(=O)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=C(C=C7)C |
Product Overview
ChemDiv1_025958 (CAS 5683-86-3), with molecular formula C36H28N2OS2 and molecular weight 568.16 g/mol. IUPAC: [3',3'-bis(4-methylphenyl)-4-phenylspiro[1,3,4-thiadiazole-5,1'-2-benzothiophene]-2-yl]-phenylmethanone.
Chemical Property Profile of ChemDiv1_025958
Property Insights of ChemDiv1_025958
The XLogP value of 8.90224 indicates that ChemDiv1_025958 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.67 Ų, ChemDiv1_025958 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_025958 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_025958?
The CAS number of ChemDiv1_025958 is 5683-86-3.
What is the molecular formula of ChemDiv1_025958?
The molecular formula of ChemDiv1_025958 is C36H28N2OS2.
What is the molecular weight of ChemDiv1_025958?
The molecular weight of ChemDiv1_025958 is 568.16 g/mol.
Where can I buy ChemDiv1_025958?
You can request a quote for ChemDiv1_025958 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025958?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025958 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.