3M-347S
TL;DR: 3M-347S (CAS 338414-87-2) is a chemical compound with molecular formula C18H14F3N5S2 and molecular weight 421.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5-(4-phenyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole
Also Known As: 3M-347S, 5-[5-(allylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole, 1-methyl-5-(4-phenyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)thieno[2,3-c]pyrazole, 3-[1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazol-5-yl]-4-phenyl-5-(prop-2-en-1-ylsulfanyl)-4H-1,2,4-triazole
| Molecular Formula | C18H14F3N5S2 |
|---|---|
| Molecular Weight | 421.06 g/mol |
| LogP | 5.1794 |
| Topological Polar Surface Area | 48.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.06427 |
| Heavy Atoms | 28 |
| Complexity | 1141.6028 |
Chemical Identifiers
| CAS Number | 338414-87-2 |
|---|---|
| SMILES | CN1C2=C(C=C(S2)C3=NN=C(N3C4=CC=CC=C4)SCC=C)C(=N1)C(F)(F)F |
Product Overview
3M-347S (CAS 338414-87-2), with molecular formula C18H14F3N5S2 and molecular weight 421.06 g/mol. IUPAC: 1-methyl-5-(4-phenyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole.
Chemical Property Profile of 3M-347S
Property Insights of 3M-347S
The XLogP value of 5.1794 indicates that 3M-347S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.53 Ų, 3M-347S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3M-347S 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 3M-347S?
The CAS number of 3M-347S is 338414-87-2.
What is the molecular formula of 3M-347S?
The molecular formula of 3M-347S is C18H14F3N5S2.
What is the molecular weight of 3M-347S?
The molecular weight of 3M-347S is 421.06 g/mol.
Where can I buy 3M-347S?
You can request a quote for 3M-347S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3M-347S?
Yes, KEHONG BIO provides custom synthesis services for 3M-347S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.