CAS RN: 38409-70-0
Cyclopropanecarboxylic acid, 1-(acetylamino)- (9CI)
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.20250212 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS38409-70-0
- Purity/Analytical Methods: >99.0%
38409-70-0 / 1-acetamidocyclopropane-1-carboxylic acid
Basic Information
CAS
38409-70-0
Multi CAS
No
Molecular Formula
C6H9NO3
Molecular Weight
143.140000
Exact Mass
143.058243
InChI
InChI=1S/C6H9NO3/c1-4(8)7-6(2-3-6)5(9)10/h2-3H2,1H3,(H,7,8)(H,9,10)
InChIKey
UMSVVEDRQXFLLM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
33.42
TPSA
66.4
LogP / Solubility
WLOGP
-0.26
MLOGP
-0.24
XLogP3
-0.5
Consensus LogP
-0.33
Log S (ESOL)
-0.43
Class (ESOL)
Very soluble
Log S (Ali)
-0.55
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.61
Class (SILICOS-IT)
Very 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)
-3.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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