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CAS 1788044-05-2 Methyl 1-isopropylindoline-6-carboxylate molecular structure lightbox
CAS RN: 1788044-05-2

Methyl 1-isopropylindoline-6-carboxylate

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260309 250mg / 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250324 1g In stock Shenzhen Inquiry
Batchno.20260321 250mg In stock Shanghai Inquiry
Batchno.20260503 5g In stock Shenzhen, Tianjin Inquiry
  • Product code: SSC-079602
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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 1788044-05-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1788044-05-2 / methyl 1-propan-2-yl-2,3-dihydroindole-6-carboxylate

Standard CAS: 1788044-05-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1788044-05-2
Multi CAS
No
Molecular Formula
C13H17NO2
Molecular Weight
219.280000
Exact Mass
219.125929
SMILES
CC(C)N1CCC2=C1C=C(C=C2)C(=O)OC
InChI
InChI=1S/C13H17NO2/c1-9(2)14-7-6-10-4-5-11(8-12(10)14)13(15)16-3/h4-5,8-9H,6-7H2,1-3H3
InChIKey
JOQNENKIZYDERG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
63.97
TPSA
29.54

LogP / Solubility

WLOGP
2.24
MLOGP
1.98
XLogP3
2.7
Consensus LogP
2.31
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly 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)
-2.46

Drug-likeness / Medicinal Chemistry

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

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