CAS RN: 114095-61-3
(trans-2-(p-tolyl)cyclopropyl)methanol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250902 | 500mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS114095-61-3
- Purity/Analytical Methods: >99.0%
114095-61-3 / [(1R,2R)-2-(4-methylphenyl)cyclopropyl]methanol
(trans-2-(p-tolyl)cyclopropyl)methanol | SCHEMBL11965119 | rel-((1R,2R)-2-(p-Tolyl)cyclopropyl)methanol
Basic Information
CAS
114095-61-3
Multi CAS
No
Molecular Formula
C11H14O
Molecular Weight
162.230000
Exact Mass
162.104465
SMILES
CC1=CC=C(C=C1)[C@@H]2C[C@H]2CO
InChI
InChI=1S/C11H14O/c1-8-2-4-9(5-3-8)11-6-10(11)7-12/h2-5,10-12H,6-7H2,1H3/t10-,11-/m0/s1
InChIKey
CWMCGMSXNIYQJJ-QWRGUYRKSA-N
Synonyms
(trans-2-(p-tolyl)cyclopropyl)methanol
SCHEMBL11965119
rel-((1R,2R)-2-(p-Tolyl)cyclopropyl)methanol
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.11
TPSA
20.23
LogP / Solubility
WLOGP
2.09
MLOGP
1.84
XLogP3
2.3
Consensus LogP
2.08
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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