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CAS 2169-68-8 ETHYL 3-(4-CHLOROPHENYL)-2-CYANOACRYLATE molecular structure lightbox
CAS RN: 2169-68-8

ETHYL 3-(4-CHLOROPHENYL)-2-CYANOACRYLATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250818 10g Out of stock 5-7 business days Inquiry
  • Product code: SSC-104305
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 25g, 0.1g, 0.25g, 1g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2169-68-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Shanghai Inquiry
25g >97% 2 In Stock Beijing Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry

2169-68-8 / ethyl (E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoate

Standard CAS: 2169-68-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2169-68-8
Multi CAS
No
Molecular Formula
C12H10ClNO2
Molecular Weight
235.660000
Exact Mass
235.040006
SMILES
CCOC(=O)/C(=C/C1=CC=C(C=C1)Cl)/C#N
InChI
InChI=1S/C12H10ClNO2/c1-2-16-12(15)10(8-14)7-9-3-5-11(13)6-4-9/h3-7H,2H2,1H3/b10-7+
InChIKey
KLUDCHZOLVGLQF-JXMROGBWSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
61.68
TPSA
50.09

LogP / Solubility

WLOGP
2.81
MLOGP
2.48
XLogP3
3.1
Consensus LogP
2.8
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
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)
-2.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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