3M-012
TL;DR: 3M-012 (CAS 338414-07-6) is a chemical compound with molecular formula C18H9Cl3F3NO4S and molecular weight 496.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dichlorophenyl) 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonate
Also Known As: 3M-012, 3,4-Dichlorophenyl 4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)benzenesulfonate, (3,4-dichlorophenyl) 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxybenzenesulfonate, 3,4-dichlorophenyl 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}benzene-1-sulfonate, 3,4-dichlorophenyl 4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}benzenesulfonate
| Molecular Formula | C18H9Cl3F3NO4S |
|---|---|
| Molecular Weight | 496.93 g/mol |
| LogP | 6.6206 |
| Topological Polar Surface Area | 65.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.927 |
| Heavy Atoms | 30 |
| Complexity | 1186.2712 |
Chemical Identifiers
| CAS Number | 338414-07-6 |
|---|---|
| SMILES | C1=CC(=CC=C1OC2=C(C=C(C=N2)C(F)(F)F)Cl)S(=O)(=O)OC3=CC(=C(C=C3)Cl)Cl |
Product Overview
3M-012 (CAS 338414-07-6), with molecular formula C18H9Cl3F3NO4S and molecular weight 496.93 g/mol. IUPAC: (3,4-dichlorophenyl) 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonate.
Chemical Property Profile of 3M-012
Property Insights of 3M-012
The XLogP value of 6.6206 indicates that 3M-012 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 3M-012. Following Lipinski's Rule of Five, 3M-012 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-012?
The CAS number of 3M-012 is 338414-07-6.
What is the molecular formula of 3M-012?
The molecular formula of 3M-012 is C18H9Cl3F3NO4S.
What is the molecular weight of 3M-012?
The molecular weight of 3M-012 is 496.93 g/mol.
Where can I buy 3M-012?
You can request a quote for 3M-012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3M-012?
Yes, KEHONG BIO provides custom synthesis services for 3M-012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.