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CAS 61898-95-1 METHYL 3-(2,2-DICHLOROVINYL)-2,2-DIMETHYL-(1-CYCLOPROPANE)CARBOXYLATE molecular structure lightbox
CAS RN: 61898-95-1

METHYL 3-(2,2-DICHLOROVINYL)-2,2-DIMETHYL-(1-CYCLOPROPANE)CARBOXYLATE

  • Product code: SSC-170875
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 61898-95-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

61898-95-1 / methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

Standard CAS: 61898-95-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61898-95-1
Multi CAS
Yes
Molecular Formula
C9H12CL2O2
Molecular Weight
223.090000
Exact Mass
222.021435
InChI
InChI=1S/C9H12Cl2O2/c1-9(2)5(4-6(10)11)7(9)8(12)13-3/h4-5,7H,1-3H3
InChIKey
QJOOIMSFFIUFKX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
52.57
TPSA
26.3

LogP / Solubility

WLOGP
2.75
MLOGP
2.42
XLogP3
3.6
Consensus LogP
2.92
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly 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)
-2.13

Drug-likeness / Medicinal Chemistry

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

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