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CAS 120221-69-4 1-Indolizinecarboxylic acid, 3-acetyl- molecular structure lightbox
CAS RN: 120221-69-4

1-Indolizinecarboxylic acid, 3-acetyl-

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250523 100mg In stock Shanghai Inquiry
Batchno.20250501 1g Out of stock Inquiry
Batchno.20250708 250mg In stock Shanghai Inquiry
  • Product code: SSC-021077
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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: ≥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 120221-69-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

120221-69-4 / 3-acetylindolizine-1-carboxylic acid

3-Acetylindolizine-1-carboxylic acid | 1-Indolizinecarboxylic acid, 3-acetyl- | MFCD22058015

Standard CAS: 120221-69-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
120221-69-4
Multi CAS
No
Molecular Formula
C11H9NO3
Molecular Weight
203.190000
Exact Mass
203.058243
SMILES
CC(=O)C1=CC(=C2N1C=CC=C2)C(=O)O
InChI
InChI=1S/C11H9NO3/c1-7(13)10-6-8(11(14)15)9-4-2-3-5-12(9)10/h2-6H,1H3,(H,14,15)
InChIKey
OCNARWZVXHBIDY-UHFFFAOYSA-N
Synonyms
3-Acetylindolizine-1-carboxylic acid 1-Indolizinecarboxylic acid, 3-acetyl- MFCD22058015 3-Acetylindolizine-1-carboxylicacid SCHEMBL9531095

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.36
TPSA
58.78

LogP / Solubility

WLOGP
1.84
MLOGP
1.62
XLogP3
2
Consensus LogP
1.82
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65

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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