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CAS 81443-46-1 2-[4-(BROMOMETHYL)PHENYL]THIOPHENE molecular structure lightbox
CAS RN: 81443-46-1

2-[4-(BROMOMETHYL)PHENYL]THIOPHENE

  • Product code: SSC-189888
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 81443-46-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

81443-46-1 / 2-[4-(bromomethyl)phenyl]thiophene

Standard CAS: 81443-46-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81443-46-1
Multi CAS
No
Molecular Formula
C11H9BRS
Molecular Weight
253.160000
Exact Mass
251.960830
InChI
InChI=1S/C11H9BrS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7H,8H2
InChIKey
ZHUUJVAVOVMLCK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
62.39
TPSA
28.2000

LogP / Solubility

WLOGP
4.31
MLOGP
3.8
XLogP3
4.3
Consensus LogP
4.14
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
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)
-1.2

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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