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CAS 84379-72-6 Propanoic acid, 2,2-dimethyl-, 1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl ester molecular structure lightbox
CAS RN: 84379-72-6

Propanoic acid, 2,2-dimethyl-, 1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl ester

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260430 100g Out of stock Inquiry
Batchno.20260306 1g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20260304 25g In stock Shanghai, Wuhan Inquiry
Batchno.20260623 5g In stock Shanghai Inquiry
  • Product code: SSC-191901
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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
  • 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 84379-72-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 2 In Stock Beijing Inquiry
5g >95% 1 In Stock Hong Kong Inquiry
10g >95% 1 In Stock Beijing Inquiry
25g >95% 1 In Stock Shenzhen Inquiry

84379-72-6 / (1,3-dioxoisoindol-2-yl) 2,2-dimethylpropanoate

Standard CAS: 84379-72-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
84379-72-6
Multi CAS
No
Molecular Formula
C13H13NO4
Molecular Weight
247.250000
Exact Mass
247.084458
InChI
InChI=1S/C13H13NO4/c1-13(2,3)12(17)18-14-10(15)8-6-4-5-7-9(8)11(14)16/h4-7H,1-3H3
InChIKey
BNNGSUIJCMXEQS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
62.49
TPSA
63.68

LogP / Solubility

WLOGP
1.79
MLOGP
1.58
XLogP3
2.8
Consensus LogP
2.06
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-2.96

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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