CAS RN: 2868-37-3

Methyl Cyclopropanecarboxylate

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251004 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260131 25g In stock Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250111 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20250111 500g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251031 100g In stock Shanghai Inquiry
  • Product code: ICTC1607
  • Purity/Analytical Methods: >97.0%(GC)
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2868-37-3 / methyl cyclopropanecarboxylate

Standard CAS: 2868-37-3 Multi CAS: Yes

Basic Information

CAS
2868-37-3
Multi CAS
Yes
Molecular Formula
C5H8O2
Molecular Weight
100.120000
Exact Mass
100.052429
InChI
InChI=1S/C5H8O2/c1-7-5(6)4-2-3-4/h4H,2-3H2,1H3
InChIKey
PKAHQJNJPDVTDP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
24.74
TPSA
26.3

LogP / Solubility

WLOGP
0.57
MLOGP
0.49
XLogP3
0.6
Consensus LogP
0.55
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.79
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.9
Class (SILICOS-IT)
Very 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)
-2.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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