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CAS 204068-75-7 2H-Isoindole-1-carboxylicacid,4,5,6,7-tetrahydro-(9CI) molecular structure lightbox
CAS RN: 204068-75-7

2H-Isoindole-1-carboxylicacid,4,5,6,7-tetrahydro-(9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250601 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-096016
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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: 1g
  • 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 204068-75-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

204068-75-7 / 4,5,6,7-tetrahydro-2H-isoindole-1-carboxylic acid

Standard CAS: 204068-75-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
204068-75-7
Multi CAS
No
Molecular Formula
C9H11NO2
Molecular Weight
165.190000
Exact Mass
165.078979
SMILES
C1CCC2=C(NC=C2C1)C(=O)O
InChI
InChI=1S/C9H11NO2/c11-9(12)8-7-4-2-1-3-6(7)5-10-8/h5,10H,1-4H2,(H,11,12)
InChIKey
GLAUSPDJGYRFQK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
44.39
TPSA
53.09

LogP / Solubility

WLOGP
1.59
MLOGP
1.4
XLogP3
1.9
Consensus LogP
1.63
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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)
-2.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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