5G-336S
TL;DR: 5G-336S (CAS 400083-59-2) is a chemical compound with molecular formula C18H13F6N3S and molecular weight 417.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-difluoro-N-[[5-(4-fluorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]aniline
Also Known As: 5G-336S, 2,4-difluoro-N-[[5-(4-fluorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]aniline, 2,4-difluoro-N-{[5-[(4-fluorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}aniline, 2,4-difluoro-N-({5-[(4-fluorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}methyl)aniline
| Molecular Formula | C18H13F6N3S |
|---|---|
| Molecular Weight | 417.07 g/mol |
| LogP | 5.6195 |
| Topological Polar Surface Area | 29.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.07343 |
| Heavy Atoms | 28 |
| Complexity | 982.2214 |
Chemical Identifiers
| CAS Number | 400083-59-2 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)CNC2=C(C=C(C=C2)F)F)SC3=CC=C(C=C3)F |
Product Overview
5G-336S (CAS 400083-59-2), with molecular formula C18H13F6N3S and molecular weight 417.07 g/mol. IUPAC: 2,4-difluoro-N-[[5-(4-fluorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]aniline.
Chemical Property Profile of 5G-336S
Property Insights of 5G-336S
The XLogP value of 5.6195 indicates that 5G-336S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.85 Ų, 5G-336S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5G-336S has 1 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 5G-336S?
The CAS number of 5G-336S is 400083-59-2.
What is the molecular formula of 5G-336S?
The molecular formula of 5G-336S is C18H13F6N3S.
What is the molecular weight of 5G-336S?
The molecular weight of 5G-336S is 417.07 g/mol.
Where can I buy 5G-336S?
You can request a quote for 5G-336S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5G-336S?
Yes, KEHONG BIO provides custom synthesis services for 5G-336S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.