CAS RN: 138923-03-2
Methyl (1S,4R)-4-Amino-2-Cyclopentene-1-Carboxylate
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.20260701 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS138923-03-2
- Purity/Analytical Methods: >99.0%
138923-03-2 / methyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate
Basic Information
CAS
138923-03-2
Multi CAS
No
Molecular Formula
C7H11NO2
Molecular Weight
141.170000
Exact Mass
141.078979
SMILES
COC(=O)[C@H]1C[C@H](C=C1)N
InChI
InChI=1S/C7H11NO2/c1-10-7(9)5-2-3-6(8)4-5/h2-3,5-6H,4,8H2,1H3/t5-,6+/m1/s1
InChIKey
ANVYHALMQXHQSG-RITPCOANSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.24
TPSA
52.32
LogP / Solubility
WLOGP
0.06
MLOGP
0.05
XLogP3
-0.1
Consensus LogP
0.0000
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.75
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)
-3.54
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
2.5
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