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CAS 97901-15-0 5-Bromoindan-2-carboxylic Acid molecular structure lightbox
CAS RN: 97901-15-0

5-Bromoindan-2-carboxylic Acid

  • Product code: SSC-212397
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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, 0.05g, 1g
  • 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 97901-15-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
0.05g >95% 0 Out of Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

97901-15-0 / 5-bromo-2,3-dihydro-1H-indene-2-carboxylic acid

Standard CAS: 97901-15-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
97901-15-0
Multi CAS
No
Molecular Formula
C10H9BRO2
Molecular Weight
241.080000
Exact Mass
239.978590
InChI
InChI=1S/C10H9BrO2/c11-9-2-1-6-3-8(10(12)13)4-7(6)5-9/h1-2,5,8H,3-4H2,(H,12,13)
InChIKey
OMJPTHPPEYUYLP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
52.68
TPSA
37.3

LogP / Solubility

WLOGP
2.25
MLOGP
1.98
XLogP3
2.4
Consensus LogP
2.21
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
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)
-2.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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