![CAS 444192-90-9 (2-benzyloctahydrocyclopenta[c]pyrrol-3a-yl)Methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/444192-90-9.gif)
CAS RN: 444192-90-9
(2-benzyloctahydrocyclopenta[c]pyrrol-3a-yl)Methanol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260211 | 50mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS444192-90-9
- Purity/Analytical Methods: >99.0%
444192-90-9 / [(3aS,6aS)-2-benzyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
Basic Information
CAS
444192-90-9
Multi CAS
Yes
Molecular Formula
C15H21NO
Molecular Weight
231.330000
Exact Mass
231.162314
InChI
InChI=1S/C15H21NO/c17-12-15-8-4-7-14(15)10-16(11-15)9-13-5-2-1-3-6-13/h1-3,5-6,14,17H,4,7-12H2
InChIKey
HUMHLGKGPBRHRM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.58
TPSA
23.47
LogP / Solubility
WLOGP
2.28
MLOGP
2.01
XLogP3
2.2
Consensus LogP
2.16
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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