CAS RN: 610318-54-2

RGX-104 free Acid

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7 package records7 with current stock1 grade group
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Batchno.20250215 100mg In stock Shanghai Inquiry
Batchno.20260604 10mg In stock Shanghai, Tianjin Inquiry
Batchno.20251121 1mg In stock Shanghai, Tianjin Inquiry
Batchno.20251009 250mg In stock Shanghai Inquiry
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Batchno.20260601 50mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS610318-54-2
  • Purity/Analytical Methods: >99.0%
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610318-54-2 / 2-[3-[(3R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]butoxy]phenyl]acetic acid

Standard CAS: 610318-54-2 Multi CAS: Yes

Basic Information

CAS
610318-54-2
Multi CAS
Yes
Molecular Formula
C34H33CLF3NO3
Molecular Weight
596.100000
Exact Mass
595.210106
InChI
InChI=1S/C34H33ClF3NO3/c1-24(18-19-42-29-16-8-10-25(20-29)21-32(40)41)39(22-28-15-9-17-31(33(28)35)34(36,37)38)23-30(26-11-4-2-5-12-26)27-13-6-3-7-14-27/h2-17,20,24,30H,18-19,21-23H2,1H3,(H,40,41)/t24-/m1/s1
InChIKey
ZLJZDYOBXVOTSA-XMMPIXPASA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
24
Fraction Csp3
0.26
Rotatable bonds
13
H-bond acceptors
3
H-bond donors
1
Molar refractivity
158.95
TPSA
49.77

LogP / Solubility

WLOGP
8.48
MLOGP
7.51
XLogP3
6.3
Consensus LogP
7.43
Log S (ESOL)
-8.44
Class (ESOL)
Insoluble
Log S (Ali)
-10.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.13
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)
-0.34

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5

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