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CAS 1388025-89-5 Benzo[b]thiophene,5-broMo-7-Methoxy- molecular structure lightbox
CAS RN: 1388025-89-5

Benzo[b]thiophene,5-broMo-7-Methoxy-

  • Product code: SSC-048737
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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, 5g, 1g
  • 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 1388025-89-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shanghai Inquiry
0.25g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 3 In Stock Shenzhen Inquiry
1g ≥95% 2 In Stock Hong Kong Inquiry

1388025-89-5 / 5-bromo-7-methoxy-1-benzothiophene

Standard CAS: 1388025-89-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1388025-89-5
Multi CAS
No
Molecular Formula
C9H7BrOS
Molecular Weight
243.120000
Exact Mass
241.940100
SMILES
COC1=C2C(=CC(=C1)Br)C=CS2
InChI
InChI=1S/C9H7BrOS/c1-11-8-5-7(10)4-6-2-3-12-9(6)8/h2-5H,1H3
InChIKey
NFRPPLGGPSOWGA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
56.08
TPSA
9.23

LogP / Solubility

WLOGP
3.67
MLOGP
3.24
XLogP3
3.6
Consensus LogP
3.5
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
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)
-1.6

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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