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CAS 98185-20-7 S(-)RACLOPRIDE L-TARTRATE >97% SELECTIVE D2 DOPAMINE molecular structure lightbox
CAS RN: 98185-20-7

S(-)RACLOPRIDE L-TARTRATE >97% SELECTIVE D2 DOPAMINE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251024 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS98185-20-7
  • Purity/Analytical Methods: >99.0%
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98185-20-7 / 3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-hydroxy-6-methoxybenzamide;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate

Standard CAS: 98185-20-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
98185-20-7
Multi CAS
Yes
Molecular Formula
C19H26CL2N2O9
Molecular Weight
497.300000
Exact Mass
496.101536
InChI
InChI=1S/C15H20Cl2N2O3.C4H6O6/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2;5-1(3(7)8)2(6)4(9)10/h7,9,20H,3-6,8H2,1-2H3,(H,18,21);1-2,5-6H,(H,7,8)(H,9,10)/t9-;1-,2-/m01/s1
InChIKey
QULBVRZTKPQGCR-NDAAPVSOSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
6
Molar refractivity
111.06
TPSA
180.89

LogP / Solubility

WLOGP
-1.95
MLOGP
-1.68
XLogP3
-1.95
Consensus LogP
-1.86
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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