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CAS 10420-33-4 Dimethyl Acetylsuccinate molecular structure lightbox
CAS RN: 10420-33-4

Dimethyl Acetylsuccinate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260328 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-005963
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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: 100g
  • Available purity: ≥97%
  • 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 10420-33-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shenzhen Inquiry

10420-33-4 / dimethyl 2-acetylbutanedioate

Dimethyl acetylsuccinate | Dimethyl 2-acetylsuccinate | 1,4-dimethyl 2-acetylbutanedioate

Standard CAS: 10420-33-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10420-33-4
Multi CAS
Yes
Molecular Formula
C8H12O5
Molecular Weight
188.180000
Exact Mass
188.068473
SMILES
CC(=O)C(CC(=O)OC)C(=O)OC
InChI
InChI=1S/C8H12O5/c1-5(9)6(8(11)13-3)4-7(10)12-2/h6H,4H2,1-3H3
InChIKey
XREKLQOUFWBSFH-UHFFFAOYSA-N
Synonyms
Dimethyl acetylsuccinate Dimethyl 2-acetylsuccinate 1,4-dimethyl 2-acetylbutanedioate Butanedioic acid, acetyl-, dimethyl ester LOE57K9I2C

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.62
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
42.82
TPSA
69.67

LogP / Solubility

WLOGP
-0.07
MLOGP
-0.07
XLogP3
-0.2
Consensus LogP
-0.11
Log S (ESOL)
-0.7
Class (ESOL)
Very soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.3
Class (SILICOS-IT)
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)
-3.92

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
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (16.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (16.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (16.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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