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CAS 401631-70-7 Ethyl 2-(4-Chloro-2-Cyanophenoxy)Acetate molecular structure lightbox
CAS RN: 401631-70-7

Ethyl 2-(4-Chloro-2-Cyanophenoxy)Acetate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260118 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-148186
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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 401631-70-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

401631-70-7 / ethyl 2-(4-chloro-2-cyanophenoxy)acetate

Standard CAS: 401631-70-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
401631-70-7
Multi CAS
No
Molecular Formula
C11H10CLNO3
Molecular Weight
239.650000
Exact Mass
239.034921
InChI
InChI=1S/C11H10ClNO3/c1-2-15-11(14)7-16-10-4-3-9(12)5-8(10)6-13/h3-5H,2,7H2,1H3
InChIKey
NIQJRKMUBUSDIK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
58.3
TPSA
59.32

LogP / Solubility

WLOGP
2.15
MLOGP
1.9
XLogP3
2.3
Consensus LogP
2.12
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
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)
-2.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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