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CAS 6666-75-7 Methyl 2-cyano-3-methylcrotonate molecular structure lightbox
CAS RN: 6666-75-7

Methyl 2-cyano-3-methylcrotonate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250609 100mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-176332
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 0.25g, 0.1g, 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 6666-75-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 4 In Stock Beijing Inquiry
0.25g ≥97% 1 In Stock Hong Kong Inquiry
0.1g ≥97% 0 Out of Stock Hong Kong Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

6666-75-7 / methyl 2-cyano-3-methylbut-2-enoate

Standard CAS: 6666-75-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6666-75-7
Multi CAS
Yes
Molecular Formula
C7H9NO2
Molecular Weight
139.150000
Exact Mass
139.063329
InChI
InChI=1S/C7H9NO2/c1-5(2)6(4-8)7(9)10-3/h1-3H3
InChIKey
UQJYFFMPKAPLJX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
36
TPSA
50.09

LogP / Solubility

WLOGP
1.02
MLOGP
0.89
XLogP3
1.5
Consensus LogP
1.14
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
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)
-2.85

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
1.5

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