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CAS 1222102-51-3 Evogliptin Tartrate molecular structure lightbox
CAS RN: 1222102-51-3

Evogliptin Tartrate

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7 package records6 with current stock2 grade groups
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Batchno.20250521 5mg / 10mg / 25mg Out of stock 5-7 business days Inquiry
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Batchno.20250905 100mg In stock Shanghai Inquiry
Batchno.20250218 10mg In stock Shanghai Inquiry
Batchno.20251030 1mg In stock Shanghai Inquiry
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Batchno.20250809 50mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS1222102-51-3
  • Purity/Analytical Methods: >99.0%
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1222102-51-3 / (3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one;(2R,3R)-2,3-dihydroxybutanedioic acid

Standard CAS: 1222102-51-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1222102-51-3
Multi CAS
No
Molecular Formula
C23H32F3N3O9
Molecular Weight
551.500000
Exact Mass
551.209064
SMILES
CC(C)(C)OC[C@@H]1C(=O)NCCN1C(=O)C[C@@H](CC2=CC(=C(C=C2F)F)F)N.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI
InChI=1S/C19H26F3N3O3.C4H6O6/c1-19(2,3)28-10-16-18(27)24-4-5-25(16)17(26)8-12(23)6-11-7-14(21)15(22)9-13(11)20;5-1(3(7)8)2(6)4(9)10/h7,9,12,16H,4-6,8,10,23H2,1-3H3,(H,24,27);1-2,5-6H,(H,7,8)(H,9,10)/t12-,16-;1-,2-/m11/s1
InChIKey
RBBXDAJRSNHIJZ-DLDKMZOSSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
6
Molar refractivity
124.11
TPSA
199.72

LogP / Solubility

WLOGP
-0.62
MLOGP
-0.5
XLogP3
-0.62
Consensus LogP
-0.58
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly 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)
-6.52

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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