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CAS 76742-48-8 2,2-diethoxy-ethanimidic acid methyl ester molecular structure lightbox
CAS RN: 76742-48-8

2,2-diethoxy-ethanimidic acid methyl ester

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260610 1g In stock Inquiry
Batchno.20260228 250mg Out of stock Inquiry
Batchno.20250410 5g In stock Inquiry
  • Product code: SSC-186168
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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: 1g, 5g, 10g, 25g, 100g, 0.25g, 500g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • 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 76742-48-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shanghai Inquiry
5g >95% 5 In Stock Shenzhen Inquiry
10g >95% 5 In Stock Hong Kong Inquiry
25g >95% 5 In Stock Shanghai Inquiry
100g >95% 3 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
500g >95% 0 Out of Stock Shanghai Inquiry

76742-48-8 / methyl 2,2-diethoxyethanimidate

Standard CAS: 76742-48-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
76742-48-8
Multi CAS
No
Molecular Formula
C7H15NO3
Molecular Weight
161.200000
Exact Mass
161.105193
InChI
InChI=1S/C7H15NO3/c1-4-10-7(11-5-2)6(8)9-3/h7-8H,4-5H2,1-3H3
InChIKey
YKOUABZEDZDJEY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
41.78
TPSA
51.54

LogP / Solubility

WLOGP
1.01
MLOGP
0.88
XLogP3
0.8
Consensus LogP
0.9
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately 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)
-2.99

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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