Mcl-1 inhibitor-39
TL;DR: Mcl-1 inhibitor-39 (CAS 690218-87-2) is a chemical compound with molecular formula C20H13F3N4O3S and molecular weight 446.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: Mcl-1 inhibitor-39, BAS 02832758, 2-{[5,6-di(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide, 2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 2-((5,6-Di(furan-2-yl)-1,2,4-triazin-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide
| Molecular Formula | C20H13F3N4O3S |
|---|---|
| Molecular Weight | 446.07 g/mol |
| LogP | 5.1412 |
| Topological Polar Surface Area | 94.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.06604 |
| Heavy Atoms | 31 |
| Complexity | 1178.8656 |
Chemical Identifiers
| CAS Number | 690218-87-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CO3)C4=CC=CO4)C(F)(F)F |
Product Overview
Mcl-1 inhibitor-39 (CAS 690218-87-2), with molecular formula C20H13F3N4O3S and molecular weight 446.07 g/mol. IUPAC: 2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of Mcl-1 inhibitor-39
Property Insights of Mcl-1 inhibitor-39
The XLogP value of 5.1412 indicates that Mcl-1 inhibitor-39 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.05 Ų falls within the moderate polarity range, balancing permeability and solubility for Mcl-1 inhibitor-39. Following Lipinski's Rule of Five, Mcl-1 inhibitor-39 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mcl-1 inhibitor-39?
The CAS number of Mcl-1 inhibitor-39 is 690218-87-2.
What is the molecular formula of Mcl-1 inhibitor-39?
The molecular formula of Mcl-1 inhibitor-39 is C20H13F3N4O3S.
What is the molecular weight of Mcl-1 inhibitor-39?
The molecular weight of Mcl-1 inhibitor-39 is 446.07 g/mol.
Where can I buy Mcl-1 inhibitor-39?
You can request a quote for Mcl-1 inhibitor-39 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mcl-1 inhibitor-39?
Yes, KEHONG BIO provides custom synthesis services for Mcl-1 inhibitor-39 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.