![CAS 17948-42-4 (6S,7R)-6,7-Dihydro-7-methyl-5H-cyclopenta[c]pyridin-6-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/17948-42-4.gif)
CAS RN: 17948-42-4
(6S,7R)-6,7-Dihydro-7-methyl-5H-cyclopenta[c]pyridin-6-ol
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250402 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS17948-42-4
- Purity/Analytical Methods: >99.0%
17948-42-4 / (6R,7S)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-ol
Basic Information
CAS
17948-42-4
Multi CAS
No
Molecular Formula
C9H11NO
Molecular Weight
149.190000
Exact Mass
149.084064
SMILES
C[C@@H]1[C@@H](CC2=C1C=NC=C2)O
InChI
InChI=1S/C9H11NO/c1-6-8-5-10-3-2-7(8)4-9(6)11/h2-3,5-6,9,11H,4H2,1H3/t6-,9+/m0/s1
InChIKey
IOIGOIPHPUCFOB-IMTBSYHQSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.44
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.36
TPSA
33.12
LogP / Solubility
WLOGP
1.1
MLOGP
0.96
XLogP3
0.9
Consensus LogP
0.99
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
Class (SILICOS-IT)
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)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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