![CAS 1427203-49-3 (S)-5-Aza-spiro[2.4]heptane-7-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1427203-49-3.gif)
CAS RN: 1427203-49-3
(S)-5-Aza-spiro[2.4]heptane-7-carboxylic acid
Product Availability
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4 package records0 with current stock2 grade groups
- Product code: starshine_CAS1427203-49-3
- Purity/Analytical Methods: >99.0%
1427203-49-3 / (7S)-5-azaspiro[2.4]heptane-7-carboxylic acid
Basic Information
CAS
1427203-49-3
Multi CAS
No
Molecular Formula
C7H11NO2
Molecular Weight
141.170000
Exact Mass
141.078979
SMILES
C1CC12CNC[C@H]2C(=O)O
InChI
InChI=1S/C7H11NO2/c9-6(10)5-3-8-4-7(5)1-2-7/h5,8H,1-4H2,(H,9,10)/t5-/m0/s1
InChIKey
TWXWMEGIVQLEOG-YFKPBYRVSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.66
TPSA
49.33
LogP / Solubility
WLOGP
0.07
MLOGP
0.06
XLogP3
-2.6
Consensus LogP
-0.82
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-0.77
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.76
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)
-3.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 1427213-44-2 9H-Carbazole, 9-[1,1′-biphenyl]-4-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1427213-44-2.gif)
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