CAS RN: 708219-39-0
2-(N-(5-chloro-2-Methylphenyl)MethylsulfonaMido)-N-(2,6-difluorophenyl)acetaMide
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
- Product code: starshine_CAS708219-39-0
- Purity/Analytical Methods: >99.0%
708219-39-0 / 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide
Basic Information
CAS
708219-39-0
Multi CAS
No
Molecular Formula
C16H15CLF2N2O3S
Molecular Weight
388.800000
Exact Mass
388.045998
InChI
InChI=1S/C16H15ClF2N2O3S/c1-10-6-7-11(17)8-14(10)21(25(2,23)24)9-15(22)20-16-12(18)4-3-5-13(16)19/h3-8H,9H2,1-2H3,(H,20,22)
InChIKey
WAOBCCBUTHNTFO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
93.37
TPSA
66.48
LogP / Solubility
WLOGP
3.33
MLOGP
2.95
XLogP3
3.2
Consensus LogP
3.16
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.55
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
1,4-Oxathiane, 4,4-dihydro-4-imino-, 4-oxide
- CAS RN: 708257-15-2
- Product Code: SSC-180541
-
-
4-Hydroxy-4-(6-methoxypyridin-3-yl)cyclohexanone
- CAS RN: 708273-57-8
- Product Code: SSC-180545
-
-
1-(6-bromopyridin-3-yl)-N,N-dimethylmethanamine
- CAS RN: 708273-78-3
- Product Code: SSC-180547
-
