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CAS 1268709-57-4 CAY10678 molecular structure lightbox
CAS RN: 1268709-57-4

CAY10678

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260404 100mg In stock Shanghai Inquiry
Batchno.20260625 250mg Out of stock Inquiry
Batchno.20250502 25mg In stock Shanghai Inquiry
Batchno.20250325 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1268709-57-4
  • Purity/Analytical Methods: >99.0%
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1268709-57-4 / N-cyclopentyl-1-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide

Standard CAS: 1268709-57-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1268709-57-4
Multi CAS
No
Molecular Formula
C23H34N4O
Molecular Weight
382.500000
Exact Mass
382.273262
SMILES
CC1=CC2=C(C=C1C)N(C(=N2)N3CCC(CC3)C(=O)NC4CCCC4)C(C)C
InChI
InChI=1S/C23H34N4O/c1-15(2)27-21-14-17(4)16(3)13-20(21)25-23(27)26-11-9-18(10-12-26)22(28)24-19-7-5-6-8-19/h13-15,18-19H,5-12H2,1-4H3,(H,24,28)
InChIKey
FPPVJOTXZIRXTF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
9
Fraction Csp3
0.65
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
114.93
TPSA
50.16

LogP / Solubility

WLOGP
4.51
MLOGP
3.99
XLogP3
4.4
Consensus LogP
4.3
Log S (ESOL)
-5.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.37
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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