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CAS 2854-40-2 CYCLO(-PRO-VAL) molecular structure lightbox
CAS RN: 2854-40-2

CYCLO(-PRO-VAL)

Product Availability

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250909 100mg In stock Shanghai Inquiry
Batchno.20250704 1g In stock Shanghai, Tianjin Inquiry
Batchno.20251026 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260206 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260113 100mg In stock Shanghai, Shandong Inquiry
Batchno.20260328 250mg In stock Shanghai Inquiry
Batchno.20251206 25mg In stock Shanghai, Shandong, Chongqing Inquiry
  • Product code: starshine_CAS2854-40-2
  • Purity/Analytical Methods: >99.0%
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2854-40-2 / 3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

Standard CAS: 2854-40-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2854-40-2
Multi CAS
Yes
Molecular Formula
C10H16N2O2
Molecular Weight
196.250000
Exact Mass
196.121178
InChI
InChI=1S/C10H16N2O2/c1-6(2)8-10(14)12-5-3-4-7(12)9(13)11-8/h6-8H,3-5H2,1-2H3,(H,11,13)/t7-,8-/m0/s1
InChIKey
XLUAWXQORJEMBD-YUMQZZPRSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.5
TPSA
49.41

LogP / Solubility

WLOGP
0.13
MLOGP
0.12
XLogP3
0.8
Consensus LogP
0.35
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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