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CAS 37842-58-3 ETHYL AMINOCYANOACETATE P-TOLUENESULFONATE molecular structure lightbox
CAS RN: 37842-58-3

ETHYL AMINOCYANOACETATE P-TOLUENESULFONATE

Product Availability

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5 package records5 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260417 1g In stock Inquiry
Batchno.20260308 250mg In stock Inquiry
Batchno.20250201 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250304 50mg / 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260407 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-145288
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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: 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >95%
  • 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 37842-58-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g -- 2 In Stock Beijing Inquiry
0.25g >95% 2 In Stock Shanghai Inquiry
1g -- 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g -- 0 Out of Stock Shenzhen Inquiry
5g >95% 0 Out of Stock Beijing Inquiry
10g -- 0 Out of Stock Shenzhen Inquiry
10g >95% 0 Out of Stock Shanghai Inquiry
25g -- 0 Out of Stock Shanghai Inquiry
25g >95% 0 Out of Stock Hong Kong Inquiry

37842-58-3 / ethyl 2-amino-2-cyanoacetate;4-methylbenzenesulfonic acid

Standard CAS: 37842-58-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
37842-58-3
Multi CAS
Yes
Molecular Formula
C12H16N2O5S
Molecular Weight
300.330000
Exact Mass
300.077993
InChI
InChI=1S/C7H8O3S.C5H8N2O2/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-9-5(8)4(7)3-6/h2-5H,1H3,(H,8,9,10);4H,2,7H2,1H3
InChIKey
IJPUEWDLGXTFSX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
71.22
TPSA
130.48

LogP / Solubility

WLOGP
0.64
MLOGP
0.58
XLogP3
0.64
Consensus LogP
0.62
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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