CAS RN: 85263-80-5
1-(3,4-DIMETHOXYPHENETHYL)-5-OXO-3-PYRROLIDINECARBOXYLIC ACID
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250816 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS85263-80-5
- Purity/Analytical Methods: >99.0%
85263-80-5 / 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
Basic Information
CAS
85263-80-5
Multi CAS
No
Molecular Formula
C15H19NO5
Molecular Weight
293.310000
Exact Mass
293.126323
InChI
InChI=1S/C15H19NO5/c1-20-12-4-3-10(7-13(12)21-2)5-6-16-9-11(15(18)19)8-14(16)17/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,18,19)
InChIKey
LENAMXSEAKOBKB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
75.57
TPSA
76.07
LogP / Solubility
WLOGP
1.18
MLOGP
1.05
XLogP3
0.9
Consensus LogP
1.04
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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