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CAS 893740-97-1 4-(5-ForMylthiophen-2-yl)phenol molecular structure lightbox
CAS RN: 893740-97-1

4-(5-ForMylthiophen-2-yl)phenol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250526 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS893740-97-1
  • Purity/Analytical Methods: >99.0%
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893740-97-1 / 5-(4-hydroxyphenyl)thiophene-2-carbaldehyde

Standard CAS: 893740-97-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
893740-97-1
Multi CAS
No
Molecular Formula
C11H8O2S
Molecular Weight
204.250000
Exact Mass
204.024501
InChI
InChI=1S/C11H8O2S/c12-7-10-5-6-11(14-10)8-1-3-9(13)4-2-8/h1-7,13H
InChIKey
CTJUQMCNJMQHLD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.81
TPSA
37.3

LogP / Solubility

WLOGP
2.93
MLOGP
2.58
XLogP3
2.7
Consensus LogP
2.74
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
Class (SILICOS-IT)
Poorly 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)
-1.88

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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