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CAS 633335-75-8 Cyclopropanecarboxylic acid, 1-[(dimethylamino)methyl]- (9CI) molecular structure lightbox
CAS RN: 633335-75-8

Cyclopropanecarboxylic acid, 1-[(dimethylamino)methyl]- (9CI)

  • Product code: SSC-172987
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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: 1g
  • 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 633335-75-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

633335-75-8 / 1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid

Standard CAS: 633335-75-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
633335-75-8
Multi CAS
No
Molecular Formula
C7H13NO2
Molecular Weight
143.180000
Exact Mass
143.094629
InChI
InChI=1S/C7H13NO2/c1-8(2)5-7(3-4-7)6(9)10/h3-5H2,1-2H3,(H,9,10)
InChIKey
IAQPYMSFAIDGFT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.86
TPSA
40.54

LogP / Solubility

WLOGP
0.41
MLOGP
0.36
XLogP3
-2.2
Consensus LogP
-0.48
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
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)
-3.3

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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