CAS RN: 34669-52-8
2,3-DiMethyl-cyclopropanecarboxylic acid, (Methyl cis)
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.20250708 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS34669-52-8
- Purity/Analytical Methods: >99.0%
34669-52-8 / cis-(2R,3S)-2,3-dimethylcyclopropane-1-carboxylic acid
Basic Information
CAS
34669-52-8
Multi CAS
Yes
Molecular Formula
C6H10O2
Molecular Weight
114.140000
Exact Mass
114.068080
InChI
InChI=1S/C6H10O2/c1-3-4(2)5(3)6(7)8/h3-5H,1-2H3,(H,7,8)/t3-,4+,5?
InChIKey
VEQMUQZKBLIXLT-NGQZWQHPSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
29.45
TPSA
37.3
LogP / Solubility
WLOGP
0.97
MLOGP
0.85
XLogP3
1.1
Consensus LogP
0.97
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
Class (SILICOS-IT)
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)
-2.73
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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