CAS RN: 1157137-59-1
2-m-Tolyl-cyclopropanecarboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260626 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1157137-59-1
- Purity/Analytical Methods: >99.0%
1157137-59-1 / 2-(3-methylphenyl)cyclopropane-1-carboxylic acid
2-(3-methylphenyl)cyclopropane-1-carboxylic acid | 2-(M-tolyl)cyclopropane-1-carboxylic acid | MFCD30497462
Basic Information
CAS
1157137-59-1
Multi CAS
No
Molecular Formula
C11H12O2
Molecular Weight
176.210000
Exact Mass
176.083730
SMILES
CC1=CC(=CC=C1)C2CC2C(=O)O
InChI
InChI=1S/C11H12O2/c1-7-3-2-4-8(5-7)9-6-10(9)11(12)13/h2-5,9-10H,6H2,1H3,(H,12,13)
InChIKey
UCXIWZIPSQJEPF-UHFFFAOYSA-N
Synonyms
2-(3-methylphenyl)cyclopropane-1-carboxylic acid
2-(M-tolyl)cyclopropane-1-carboxylic acid
MFCD30497462
(1R,2R)-2-(m-Tolyl)cyclopropanecarboxylicAcid
SCHEMBL3042239
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.66
TPSA
37.3
LogP / Solubility
WLOGP
2.18
MLOGP
1.92
XLogP3
2
Consensus LogP
2.03
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-2.24
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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