3E-363S
TL;DR: 3E-363S (CAS 400080-16-2) is a chemical compound with molecular formula C15H7F6N3S2 and molecular weight 407.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[3,5-bis(trifluoromethyl)phenyl]methylsulfanyl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile
Also Known As: 3E-363S, 6-{[3,5-bis(trifluoromethyl)benzyl]sulfanyl}imidazo[2,1-b][1,3]thiazole-5-carbonitrile, 6-({[3,5-bis(trifluoromethyl)phenyl]methyl}sulfanyl)imidazo[2,1-b][1,3]thiazole-5-carbonitrile, 6-[[3,5-bis(trifluoromethyl)phenyl]methylsulfanyl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile
| Molecular Formula | C15H7F6N3S2 |
|---|---|
| Molecular Weight | 407.00 g/mol |
| LogP | 5.59738 |
| Topological Polar Surface Area | 41.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.99857 |
| Heavy Atoms | 26 |
| Complexity | 961.3689 |
Chemical Identifiers
| CAS Number | 400080-16-2 |
|---|---|
| SMILES | C1=CSC2=NC(=C(N21)C#N)SCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F |
Product Overview
3E-363S (CAS 400080-16-2), with molecular formula C15H7F6N3S2 and molecular weight 407.00 g/mol. IUPAC: 6-[[3,5-bis(trifluoromethyl)phenyl]methylsulfanyl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile.
Chemical Property Profile of 3E-363S
Property Insights of 3E-363S
The XLogP value of 5.59738 indicates that 3E-363S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.09 Ų, 3E-363S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3E-363S has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3E-363S?
The CAS number of 3E-363S is 400080-16-2.
What is the molecular formula of 3E-363S?
The molecular formula of 3E-363S is C15H7F6N3S2.
What is the molecular weight of 3E-363S?
The molecular weight of 3E-363S is 407.00 g/mol.
Where can I buy 3E-363S?
You can request a quote for 3E-363S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3E-363S?
Yes, KEHONG BIO provides custom synthesis services for 3E-363S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.