CAS RN: 39183-55-6
Acetic acid, 2-(cyclopentylamino)-2-oxo-, ethyl ester
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260626 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS39183-55-6
- Purity/Analytical Methods: >99.0%
39183-55-6 / ethyl 2-(cyclopentylamino)-2-oxoacetate
Basic Information
CAS
39183-55-6
Multi CAS
Yes
Molecular Formula
C9H15NO3
Molecular Weight
185.220000
Exact Mass
185.105193
InChI
InChI=1S/C9H15NO3/c1-2-13-9(12)8(11)10-7-5-3-4-6-7/h7H,2-6H2,1H3,(H,10,11)
InChIKey
ZKKFADBWPCWTAH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.03
TPSA
55.4
LogP / Solubility
WLOGP
0.61
MLOGP
0.53
XLogP3
1.5
Consensus LogP
0.88
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
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)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
Acetamide, N-(1-methylcyclopentyl)-
- CAS RN: 39192-25-1
- Product Code: starshine_CAS39192-25-1
- Purity/Analytical method: >99.0%
-
-
-
