4-MPPTS
TL;DR: 4-MPPTS (CAS 353229-59-1) is a chemical compound with molecular formula C21H19F3N2O4S and molecular weight 452.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-N-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
Also Known As: 4-MPPTS, 2,2,2-TRIFLUORO-N-(4-(2-METHOXYPHENOXY)PHENYL)-N-(PYRIDIN-3-YLMETHYL)ETHANESULFONAMIDE, LY 487379 HYDROCHLORIDE, LY487379HYDROCHLORIDE, LY 487379
| Molecular Formula | C21H19F3N2O4S |
|---|---|
| Molecular Weight | 452.10 g/mol |
| LogP | 4.7812 |
| Topological Polar Surface Area | 68.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 452.10178 |
| Heavy Atoms | 31 |
| Complexity | 1105.4736 |
Chemical Identifiers
| CAS Number | 353229-59-1 |
|---|---|
| SMILES | COC1=CC=CC=C1OC2=CC=C(C=C2)N(CC3=CN=CC=C3)S(=O)(=O)CC(F)(F)F |
Product Overview
4-MPPTS (CAS 353229-59-1), with molecular formula C21H19F3N2O4S and molecular weight 452.10 g/mol. IUPAC: 2,2,2-trifluoro-N-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide.
Chemical Property Profile of 4-MPPTS
Property Insights of 4-MPPTS
The XLogP value of 4.7812 indicates that 4-MPPTS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-MPPTS. Following Lipinski's Rule of Five, 4-MPPTS has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-MPPTS?
The CAS number of 4-MPPTS is 353229-59-1.
What is the molecular formula of 4-MPPTS?
The molecular formula of 4-MPPTS is C21H19F3N2O4S.
What is the molecular weight of 4-MPPTS?
The molecular weight of 4-MPPTS is 452.10 g/mol.
Where can I buy 4-MPPTS?
You can request a quote for 4-MPPTS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-MPPTS?
Yes, KEHONG BIO provides custom synthesis services for 4-MPPTS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.