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CAS 1247859-37-5 Cabozantinib Impurity 46 molecular structure lightbox
CAS RN: 1247859-37-5

Cabozantinib Impurity 46

  • Product code: SSC-029010
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1247859-37-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry
5g ≥95% 1 In Stock Hong Kong Inquiry

1247859-37-5 / 1-[(3-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid

Standard CAS: 1247859-37-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1247859-37-5
Multi CAS
No
Molecular Formula
C11H10FNO3
Molecular Weight
223.200000
Exact Mass
223.064471
SMILES
C1CC1(C(=O)NC2=CC(=CC=C2)F)C(=O)O
InChI
InChI=1S/C11H10FNO3/c12-7-2-1-3-8(6-7)13-9(14)11(4-5-11)10(15)16/h1-3,6H,4-5H2,(H,13,14)(H,15,16)
InChIKey
LPWTYNCDRVZJMN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
54.33
TPSA
66.4

LogP / Solubility

WLOGP
1.63
MLOGP
1.44
XLogP3
1.8
Consensus LogP
1.62
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-2.92

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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