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CAS 313241-16-6 6-BROMO-2-CYCLOPROPYL-QUINOLINE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 313241-16-6

6-BROMO-2-CYCLOPROPYL-QUINOLINE-4-CARBOXYLIC ACID

  • Product code: SSC-136644
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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: 0.25g, 1g, 0.1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 313241-16-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Beijing Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

313241-16-6 / 6-bromo-2-cyclopropylquinoline-4-carboxylic acid

Standard CAS: 313241-16-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
313241-16-6
Multi CAS
Yes
Molecular Formula
BC13H10O2Rn
Molecular Weight
292.130000
Exact Mass
290.989490
InChI
InChI=1S/C13H10BrNO2/c14-8-3-4-11-9(5-8)10(13(16)17)6-12(15-11)7-1-2-7/h3-7H,1-2H2,(H,16,17)
InChIKey
CPGMJISXVAOPHO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.38
TPSA
50.19

LogP / Solubility

WLOGP
3.57
MLOGP
3.16
XLogP3
3
Consensus LogP
3.24
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly 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)
-1.97

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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