CAS RN: 548783-71-7
FEXOFENADINE-D6
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock2 grade groups
- Product code: starshine_CAS548783-71-7
- Purity/Analytical Methods: >99.0%
548783-71-7 / 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid
Basic Information
CAS
548783-71-7
Multi CAS
Yes
Molecular Formula
C32H39NO4
Molecular Weight
501.700000
Exact Mass
501.287909
InChI
InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)/i1D3,2D3
InChIKey
RWTNPBWLLIMQHL-WFGJKAKNSA-N
Physical Properties
Melting Point
195-197 °C
142.5 °C
Physical Description
Solid
Appearance
Crystals from methanol-butanone
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
18
Fraction Csp3
0.41
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
3
Molar refractivity
146.34
TPSA
81
LogP / Solubility
WLOGP
5.51
MLOGP
4.89
XLogP3
3
Consensus LogP
4.47
Log S (ESOL)
-6.12
Class (ESOL)
Insoluble
Log S (Ali)
-7.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.69
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.87
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
2-Chloro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
- CAS RN: 548797-51-9
- Product Code: SSC-162693
-
-
-
-
-
2H-1,2,4-Benzothiadiazin-7-ol,4-ethyl-3,4-dihydro-,1,1-dioxide(9CI)
- CAS RN: 549495-04-7
- Product Code: SSC-162773
