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CAS 888505-23-5 1-thiophen-2-yl-cyclopropanol molecular structure lightbox
CAS RN: 888505-23-5

1-thiophen-2-yl-cyclopropanol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250702 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS888505-23-5
  • Purity/Analytical Methods: >99.0%
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888505-23-5 / 1-thiophen-2-ylcyclopropan-1-ol

Standard CAS: 888505-23-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
888505-23-5
Multi CAS
No
Molecular Formula
C7H8OS
Molecular Weight
140.200000
Exact Mass
140.029586
InChI
InChI=1S/C7H8OS/c8-7(3-4-7)6-2-1-5-9-6/h1-2,5,8H,3-4H2
InChIKey
GFVAHNUXVLPLKX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.45
TPSA
20.23

LogP / Solubility

WLOGP
1.73
MLOGP
1.51
XLogP3
1.1
Consensus LogP
1.45
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately 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)
-2.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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