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CAS 1260803-17-5 6-BroMo-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid molecular structure lightbox
CAS RN: 1260803-17-5

6-BroMo-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid

  • Product code: SSC-032127
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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 1260803-17-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 1 In Stock Beijing Inquiry

1260803-17-5 / 6-bromo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

Standard CAS: 1260803-17-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260803-17-5
Multi CAS
No
Molecular Formula
C11H11BrO2
Molecular Weight
255.110000
Exact Mass
253.994240
SMILES
C1CC2=C(CC1C(=O)O)C=CC(=C2)Br
InChI
InChI=1S/C11H11BrO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h3-4,6,9H,1-2,5H2,(H,13,14)
InChIKey
XZNDGZGAKINTIF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
57.29
TPSA
37.3

LogP / Solubility

WLOGP
2.64
MLOGP
2.33
XLogP3
2.8
Consensus LogP
2.59
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
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)
-2.4

Drug-likeness / Medicinal Chemistry

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

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