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CAS 1447-13-8 METHYL 2,2-DICHLORO-1-METHYLCYCLOPROPANECARBOXYLATE molecular structure lightbox
CAS RN: 1447-13-8

METHYL 2,2-DICHLORO-1-METHYLCYCLOPROPANECARBOXYLATE

  • Product code: SSC-055963
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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 1447-13-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1447-13-8 / methyl 2,2-dichloro-1-methylcyclopropane-1-carboxylate

Standard CAS: 1447-13-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1447-13-8
Multi CAS
No
Molecular Formula
C6H8Cl2O2
Molecular Weight
183.030000
Exact Mass
181.990135
SMILES
CC1(CC1(Cl)Cl)C(=O)OC
InChI
InChI=1S/C6H8Cl2O2/c1-5(4(9)10-2)3-6(5,7)8/h3H2,1-2H3
InChIKey
JGCAZFUFORGMFB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
39.18
TPSA
26.3

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
1.7
Consensus LogP
1.66
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately 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)
-2.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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