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CAS 1483284-21-4 1-(cyclopropylmethyl)-1H-indole-2-carboxylic acid molecular structure lightbox
CAS RN: 1483284-21-4

1-(cyclopropylmethyl)-1H-indole-2-carboxylic acid

  • Product code: SSC-058680
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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 1483284-21-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1483284-21-4 / 1-(cyclopropylmethyl)indole-2-carboxylic acid

Standard CAS: 1483284-21-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1483284-21-4
Multi CAS
No
Molecular Formula
C13H13NO2
Molecular Weight
215.250000
Exact Mass
215.094629
SMILES
C1CC1CN2C3=CC=CC=C3C=C2C(=O)O
InChI
InChI=1S/C13H13NO2/c15-13(16)12-7-10-3-1-2-4-11(10)14(12)8-9-5-6-9/h1-4,7,9H,5-6,8H2,(H,15,16)
InChIKey
RYMNGKMARFHRAS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.62
TPSA
42.23

LogP / Solubility

WLOGP
2.75
MLOGP
2.42
XLogP3
2.7
Consensus LogP
2.62
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08

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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