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CAS 42710-39-4 2-METHYL-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 42710-39-4

2-METHYL-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID

  • Product code: SSC-150991
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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: 5g
  • Available purity: ≥95%
  • 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 42710-39-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

42710-39-4 / 2-methyl-1,3-dioxoisoindole-5-carboxylic acid

Standard CAS: 42710-39-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
42710-39-4
Multi CAS
Yes
Molecular Formula
C10H7NO4
Molecular Weight
205.170000
Exact Mass
205.037508
InChI
InChI=1S/C10H7NO4/c1-11-8(12)6-3-2-5(10(14)15)4-7(6)9(11)13/h2-4H,1H3,(H,14,15)
InChIKey
JNOGAXDCJSTIRH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.83
TPSA
74.68

LogP / Solubility

WLOGP
0.61
MLOGP
0.54
XLogP3
0.9
Consensus LogP
0.68
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
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)
-3.54

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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