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CAS 913358-93-7 (R)-2-((R)-6,7-diMethoxy-1-(4-(trifluoroMethyl)phenethyl)-3,4-dihydroisoquinolin-2(1H)-yl)-N-Methyl-2-phenylacetaMide molecular structure lightbox
CAS RN: 913358-93-7

(R)-2-((R)-6,7-diMethoxy-1-(4-(trifluoroMethyl)phenethyl)-3,4-dihydroisoquinolin-2(1H)-yl)-N-Methyl-2-phenylacetaMide

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251123 100mg Out of stock Inquiry
Batchno.20250208 250mg Out of stock Inquiry
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  • Product code: starshine_CAS913358-93-7
  • Purity/Analytical Methods: >99.0%
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913358-93-7 / 2-[6,7-dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-2-phenylacetamide

Standard CAS: 913358-93-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
913358-93-7
Multi CAS
Yes
Molecular Formula
C29F3H31N2O3
Molecular Weight
512.600000
Exact Mass
512.228677
InChI
InChI=1S/C29H31F3N2O3.ClH/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32;/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35);1H/t24-,27+;/m0./s1
InChIKey
BYGBTDRDPBJUBB-LHIMUUITSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
18
Fraction Csp3
0.34
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
135.71
TPSA
50.8

LogP / Solubility

WLOGP
5.74
MLOGP
5.09
XLogP3
6
Consensus LogP
5.61
Log S (ESOL)
-6.47
Class (ESOL)
Insoluble
Log S (Ali)
-7.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.72
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.77

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5.5

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