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CAS 535936-86-8 methyl-2-amino-2-cyclopropyla cetate hydrochloride molecular structure lightbox
CAS RN: 535936-86-8

methyl-2-amino-2-cyclopropyla cetate hydrochloride

  • Product code: SSC-160953
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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 535936-86-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

535936-86-8 / methyl 2-amino-2-cyclopropylacetate;hydrochloride

Standard CAS: 535936-86-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
535936-86-8
Multi CAS
Yes
Molecular Formula
C6H12CLNO2
Molecular Weight
165.620000
Exact Mass
165.055656
InChI
InChI=1S/C6H11NO2.ClH/c1-9-6(8)5(7)4-2-3-4;/h4-5H,2-3,7H2,1H3;1H
InChIKey
SRMSADQSMWKRRW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.96
TPSA
52.32

LogP / Solubility

WLOGP
0.32
MLOGP
0.28
XLogP3
0.32
Consensus LogP
0.31
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
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)
-3.5

Drug-likeness / Medicinal Chemistry

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

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