![CAS 372198-97-5 N-Methyl-N-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]glycine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/372198-97-5(2).gif)
CAS RN: 372198-97-5
N-Methyl-N-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]glycine
Product Availability
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8 package records4 with current stock2 grade groups
- Product code: starshine_CAS372198-97-5
- Purity/Analytical Methods: >99.0%
372198-97-5 / 2-[methyl-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]acetic acid
Basic Information
CAS
372198-97-5
Multi CAS
Yes
Molecular Formula
C19F3H20NO3
Molecular Weight
367.400000
Exact Mass
367.139528
InChI
InChI=1S/C19H20F3NO3/c1-23(13-18(24)25)12-11-17(14-5-3-2-4-6-14)26-16-9-7-15(8-10-16)19(20,21)22/h2-10,17H,11-13H2,1H3,(H,24,25)/t17-/m1/s1
InChIKey
KZWQAWBTWNPFPW-QGZVFWFLSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
91
TPSA
49.77
LogP / Solubility
WLOGP
4.23
MLOGP
3.74
XLogP3
1.8
Consensus LogP
3.26
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.52
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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