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CAS 959122-11-3 DGAT-1 inhibitor molecular structure lightbox
CAS RN: 959122-11-3

DGAT-1 inhibitor

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13 package records12 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250315 100mg In stock Inquiry
Batchno.20260211 10mg In stock Inquiry
Batchno.20250830 1mg In stock Inquiry
Batchno.20250620 50mg In stock Inquiry
Batchno.20260109 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250907 100mg In stock Shanghai Inquiry
Batchno.20250820 10mg In stock Shanghai Inquiry
Batchno.20251008 1mg In stock Shanghai Inquiry
Batchno.20250803 250mg Out of stock Inquiry
Batchno.20250204 25mg In stock Shanghai Inquiry
Batchno.20251008 50mg In stock Shanghai Inquiry
Batchno.20251030 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250815 1mg / 5mg / 25mg / 100mg / 500mg Confirm by inquiry Shanghai, Shandong, Chongqing, Guangdong Inquiry
  • Product code: starshine_CAS959122-11-3
  • Purity/Analytical Methods: >99.0%
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959122-11-3 / trans-(1R,2R)-2-[4-[4-(phenylcarbamoylamino)phenyl]benzoyl]cyclopentane-1-carboxylic acid

Standard CAS: 959122-11-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
959122-11-3
Multi CAS
Yes
Molecular Formula
C26H24N2O4
Molecular Weight
428.500000
Exact Mass
428.173607
InChI
InChI=1S/C26H24N2O4/c29-24(22-7-4-8-23(22)25(30)31)19-11-9-17(10-12-19)18-13-15-21(16-14-18)28-26(32)27-20-5-2-1-3-6-20/h1-3,5-6,9-16,22-23H,4,7-8H2,(H,30,31)(H2,27,28,32)/t22-,23-/m1/s1
InChIKey
BOZRFEQDOFSZBV-DHIUTWEWSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
123.76
TPSA
95.5

LogP / Solubility

WLOGP
5.68
MLOGP
5.03
XLogP3
4.3
Consensus LogP
5
Log S (ESOL)
-6.1
Class (ESOL)
Insoluble
Log S (Ali)
-7.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.88
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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