CAS RN: 85416-73-5
(S)-(+)-Rolipram
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.20250122 | 10mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTR0183
- Purity/Analytical Methods: >98.0%(HPLC)
85416-73-5 / 4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
Basic Information
CAS
85416-73-5
Multi CAS
Yes
Molecular Formula
C16H21NO3
Molecular Weight
275.340000
Exact Mass
275.152144
InChI
InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
InChIKey
HJORMJIFDVBMOB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
76.25
TPSA
47.56
LogP / Solubility
WLOGP
2.62
MLOGP
2.31
XLogP3
2.2
Consensus LogP
2.38
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly 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)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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