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CAS 42718-19-4 1-(4-CHLOROPHENYL)-2-METHOXY-2-OXO-1-ETHANAMINIUM CHLORIDE molecular structure lightbox
CAS RN: 42718-19-4

1-(4-CHLOROPHENYL)-2-METHOXY-2-OXO-1-ETHANAMINIUM CHLORIDE

Product Availability

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7 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260403 1g In stock Inquiry
Batchno.20260117 250mg In stock Inquiry
Batchno.20250717 25g In stock Inquiry
Batchno.20250710 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250304 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260116 1g In stock Shanghai Inquiry
Batchno.20251009 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-150997
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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 42718-19-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Beijing Inquiry

42718-19-4 / methyl 2-amino-2-(4-chlorophenyl)acetate;hydrochloride

Standard CAS: 42718-19-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
42718-19-4
Multi CAS
Yes
Molecular Formula
C9H11CL2NO2
Molecular Weight
236.090000
Exact Mass
235.016684
InChI
InChI=1S/C9H10ClNO2.ClH/c1-13-9(12)8(11)6-2-4-7(10)5-3-6;/h2-5,8H,11H2,1H3;1H
InChIKey
SLFXIBKUZFTNJA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.64
TPSA
52.32

LogP / Solubility

WLOGP
1.93
MLOGP
1.71
XLogP3
1.93
Consensus LogP
1.86
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly 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)
-2.79

Drug-likeness / Medicinal Chemistry

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

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