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CAS 610318-03-1 RGX-104 HCl molecular structure lightbox
CAS RN: 610318-03-1

RGX-104 HCl

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260119 1mg / 5mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS610318-03-1
  • Purity/Analytical Methods: >99.0%
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610318-03-1 / 2-[3-[(3R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]butoxy]phenyl]acetic acid;hydrochloride

Standard CAS: 610318-03-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
610318-03-1
Multi CAS
Yes
Molecular Formula
C34H34CL2F3NO3
Molecular Weight
632.500000
Exact Mass
631.186784
InChI
InChI=1S/C34H33ClF3NO3.ClH/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);1H/t24-;/m1./s1
InChIKey
LCMIYQOJZLRHTO-GJFSDDNBSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
24
Fraction Csp3
0.26
Rotatable bonds
13
H-bond acceptors
3
H-bond donors
1
Molar refractivity
166.19
TPSA
49.77

LogP / Solubility

WLOGP
8.9
MLOGP
7.88
XLogP3
8.9
Consensus LogP
8.56
Log S (ESOL)
-8.92
Class (ESOL)
Insoluble
Log S (Ali)
-11.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.72
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)
-0.26

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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