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CAS 1138326-95-0 5-Bromo-4-phenylthiophene-2-carbaldehyde molecular structure lightbox
CAS RN: 1138326-95-0

5-Bromo-4-phenylthiophene-2-carbaldehyde

  • Product code: SSC-013821
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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: 8
  • 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 1138326-95-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Beijing Inquiry
0.1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g -- 5 In Stock Shenzhen Inquiry
0.25g ≥95% 5 In Stock Beijing Inquiry
5g -- 3 In Stock Beijing Inquiry
5g ≥95% 3 In Stock Shanghai Inquiry
1g -- 1 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Beijing Inquiry

1138326-95-0 / 5-bromo-4-phenylthiophene-2-carbaldehyde

5-bromo-4-phenylthiophene-2-carbaldehyde | MFCD31619533 | SCHEMBL2836255

Standard CAS: 1138326-95-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1138326-95-0
Multi CAS
No
Molecular Formula
C11H7BrOS
Molecular Weight
267.140000
Exact Mass
265.940100
SMILES
C1=CC=C(C=C1)C2=C(SC(=C2)C=O)Br
InChI
InChI=1S/C11H7BrOS/c12-11-10(6-9(7-13)14-11)8-4-2-1-3-5-8/h1-7H
InChIKey
ZMAPHWPOKXUIHE-UHFFFAOYSA-N
Synonyms
5-bromo-4-phenylthiophene-2-carbaldehyde MFCD31619533 SCHEMBL2836255 ZMAPHWPOKXUIHE-UHFFFAOYSA-N AC2051

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
62.84
TPSA
17.07

LogP / Solubility

WLOGP
3.99
MLOGP
3.52
XLogP3
4
Consensus LogP
3.84
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.52

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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