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CAS 80866-81-5 1-(4-CHLOROPHENYL)-1-CYCLOPROPANEMETHANOL molecular structure lightbox
CAS RN: 80866-81-5

1-(4-CHLOROPHENYL)-1-CYCLOPROPANEMETHANOL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251219 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS80866-81-5
  • Purity/Analytical Methods: >99.0%
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80866-81-5 / (4-chlorophenyl)-cyclopropylmethanol

Standard CAS: 80866-81-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
80866-81-5
Multi CAS
Yes
Molecular Formula
C10H11CLO
Molecular Weight
182.640000
Exact Mass
182.049843
InChI
InChI=1S/C10H11ClO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7,10,12H,1-2H2
InChIKey
CLKPSDBTSRWVOQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.14
TPSA
20.23

LogP / Solubility

WLOGP
2.78
MLOGP
2.45
XLogP3
2.4
Consensus LogP
2.54
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
Class (SILICOS-IT)
Poorly 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)
-1.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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