3M-349S
TL;DR: 3M-349S (CAS 478031-77-5) is a chemical compound with molecular formula C18H19F3N2OS and molecular weight 368.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-tert-butylphenoxy)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole
Also Known As: 3M-349S, 4-(tert-butyl)phenyl [1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazol-5-yl]methyl ether, 5-[(4-tert-butylphenoxy)methyl]-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole, 5-[(4-tert-butylphenoxy)methyl]-1-methyl-3-(trifluoromethyl)thieno[2,3-c]pyrazole
| Molecular Formula | C18H19F3N2OS |
|---|---|
| Molecular Weight | 368.12 g/mol |
| LogP | 5.5301 |
| Topological Polar Surface Area | 27.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.117 |
| Heavy Atoms | 25 |
| Complexity | 886.0575 |
Chemical Identifiers
| CAS Number | 478031-77-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OCC2=CC3=C(S2)N(N=C3C(F)(F)F)C |
Product Overview
3M-349S (CAS 478031-77-5), with molecular formula C18H19F3N2OS and molecular weight 368.12 g/mol. IUPAC: 5-[(4-tert-butylphenoxy)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole.
Chemical Property Profile of 3M-349S
Property Insights of 3M-349S
The XLogP value of 5.5301 indicates that 3M-349S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.05 Ų, 3M-349S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3M-349S has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3M-349S?
The CAS number of 3M-349S is 478031-77-5.
What is the molecular formula of 3M-349S?
The molecular formula of 3M-349S is C18H19F3N2OS.
What is the molecular weight of 3M-349S?
The molecular weight of 3M-349S is 368.12 g/mol.
Where can I buy 3M-349S?
You can request a quote for 3M-349S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3M-349S?
Yes, KEHONG BIO provides custom synthesis services for 3M-349S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.