ChemDiv1_019226
TL;DR: ChemDiv1_019226 (CAS 313230-61-4) is a chemical compound with molecular formula C26H32ClN3S and molecular weight 453.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-tert-butyl-1-(3-chlorophenyl)-4-(2,6-dimethylanilino)-1,3-diazaspiro[4.5]dec-3-ene-2-thione
Also Known As: ChemDiv1_019226, F0405-0775, (4Z)-8-tert-butyl-1-(3-chlorophenyl)-4-[(2,6-dimethylphenyl)imino]-1,3-diazaspiro[4.5]decane-2-thione, (Z)-8-(tert-butyl)-1-(3-chlorophenyl)-4-((2,6-dimethylphenyl)imino)-1,3-diazaspiro[4.5]decane-2-thione, 8-tert-butyl-1-(3-chlorophenyl)-4-(2,6-dimethylanilino)-1,3-diazaspiro[4.5]dec-3-ene-2-thione
| Molecular Formula | C26H32ClN3S |
|---|---|
| Molecular Weight | 453.20 g/mol |
| LogP | 7.54744 |
| Topological Polar Surface Area | 27.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 453.20056 |
| Heavy Atoms | 31 |
| Complexity | 1008.93787 |
Chemical Identifiers
| CAS Number | 313230-61-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC2=NC(=S)N(C23CCC(CC3)C(C)(C)C)C4=CC(=CC=C4)Cl |
Product Overview
ChemDiv1_019226 (CAS 313230-61-4), with molecular formula C26H32ClN3S and molecular weight 453.20 g/mol. IUPAC: 8-tert-butyl-1-(3-chlorophenyl)-4-(2,6-dimethylanilino)-1,3-diazaspiro[4.5]dec-3-ene-2-thione.
Chemical Property Profile of ChemDiv1_019226
Property Insights of ChemDiv1_019226
The XLogP value of 7.54744 indicates that ChemDiv1_019226 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.63 Ų, ChemDiv1_019226 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_019226 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_019226?
The CAS number of ChemDiv1_019226 is 313230-61-4.
What is the molecular formula of ChemDiv1_019226?
The molecular formula of ChemDiv1_019226 is C26H32ClN3S.
What is the molecular weight of ChemDiv1_019226?
The molecular weight of ChemDiv1_019226 is 453.20 g/mol.
Where can I buy ChemDiv1_019226?
You can request a quote for ChemDiv1_019226 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_019226?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_019226 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.