CAS RN: 38072-88-7
PTEROLACTAM
Product Availability
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2 package records0 with current stock2 grade groups
- Product code: starshine_CAS38072-88-7
- Purity/Analytical Methods: >99.0%
38072-88-7 / 5-methoxypyrrolidin-2-one
Basic Information
CAS
38072-88-7
Multi CAS
Yes
Molecular Formula
C5H9NO2
Molecular Weight
115.130000
Exact Mass
115.063329
InChI
InChI=1S/C5H9NO2/c1-8-5-3-2-4(7)6-5/h5H,2-3H2,1H3,(H,6,7)
InChIKey
VULIHENHKGDFAB-UHFFFAOYSA-N
Physical Properties
Melting Point
56 - 67 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
28.17
TPSA
38.33
LogP / Solubility
WLOGP
-0.13
MLOGP
-0.13
XLogP3
-0.4
Consensus LogP
-0.22
Log S (ESOL)
-0.41
Class (ESOL)
Very soluble
Log S (Ali)
-0.41
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.42
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)
-3.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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- Product Code: starshine_CAS38075-43-3
- Purity/Analytical method: >99.0%
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![CAS 38075-43-3 (Z)-N-[(5-Chloro-2-hydroxyphenyl)(phenyl)methylene]-L-valine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/38075-43-3.gif)
