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CAS 1890452-75-1 Cyclopropanemethanol, 1-[1,1′-biphenyl]-4-yl-2,2-dimethyl- molecular structure lightbox
CAS RN: 1890452-75-1

Cyclopropanemethanol, 1-[1,1′-biphenyl]-4-yl-2,2-dimethyl-

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251028 100mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS1890452-75-1
  • Purity/Analytical Methods: >99.0%
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1890452-75-1 / [2,2-dimethyl-1-(4-phenylphenyl)cyclopropyl]methanol

Standard CAS: 1890452-75-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1890452-75-1
Multi CAS
No
Molecular Formula
C18H20O
Molecular Weight
252.300000
Exact Mass
252.151415
SMILES
CC1(CC1(CO)C2=CC=C(C=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C18H20O/c1-17(2)12-18(17,13-19)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,19H,12-13H2,1-2H3
InChIKey
DCSABFVLOHQBJF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
79.04
TPSA
20.23

LogP / Solubility

WLOGP
4.01
MLOGP
3.54
XLogP3
4.2
Consensus LogP
3.92
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.99
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)
-1.41

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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