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CAS 26155-31-7 MORANTEL TARTRATE SALT molecular structure lightbox
CAS RN: 26155-31-7

MORANTEL TARTRATE SALT

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250724 100mg Out of stock Inquiry
Batchno.20250221 25mg In stock Inquiry
Batchno.20250527 5mg In stock Inquiry
  • Product code: starshine_CAS26155-31-7
  • Purity/Analytical Methods: >99.0%
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26155-31-7 / (2R,3R)-2,3-dihydroxybutanedioic acid;1-methyl-2-[2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine

Standard CAS: 26155-31-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26155-31-7
Multi CAS
No
Molecular Formula
C16H22N2O6S
Molecular Weight
370.400000
Exact Mass
370.119858
SMILES
CC1=C(SC=C1)C=CC2=NCCCN2C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI
InChI=1S/C12H16N2S.C4H6O6/c1-10-6-9-15-11(10)4-5-12-13-7-3-8-14(12)2;5-1(3(7)8)2(6)4(9)10/h4-6,9H,3,7-8H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/b5-4+;/t;1-,2-/m.1/s1
InChIKey
GGXQONWGCAQGNA-UUSVNAAPSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
4
Molar refractivity
94.92
TPSA
130.66

LogP / Solubility

WLOGP
0.68
MLOGP
0.62
XLogP3
0.68
Consensus LogP
0.66
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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