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CAS 70737-12-1 Methyl 2-chloroacetiMidate hydrochloride molecular structure lightbox
CAS RN: 70737-12-1

Methyl 2-chloroacetiMidate hydrochloride

  • Product code: SSC-180483
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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: ＞97%
  • 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 70737-12-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

70737-12-1 / methyl 2-chloroethanimidate;hydrochloride

Standard CAS: 70737-12-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
70737-12-1
Multi CAS
No
Molecular Formula
C3H7CL2NO
Molecular Weight
144.000000
Exact Mass
142.990469
InChI
InChI=1S/C3H6ClNO.ClH/c1-6-3(5)2-4;/h5H,2H2,1H3;1H
InChIKey
ZPKRTCMWHONHLA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.7
TPSA
33.08

LogP / Solubility

WLOGP
1.27
MLOGP
1.11
XLogP3
1.27
Consensus LogP
1.22
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
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)
-2.7

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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