![CAS 1419101-33-9 Ethyl hexahydrocyclopenta[c]pyrrole-5-carboxylate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1419101-33-9.gif)
CAS RN: 1419101-33-9
Ethyl hexahydrocyclopenta[c]pyrrole-5-carboxylate hydrochloride
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.20250704 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1419101-33-9
- Purity/Analytical Methods: >99.0%
1419101-33-9 / ethyl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate;hydrochloride
Basic Information
CAS
1419101-33-9
Multi CAS
No
Molecular Formula
C10H18ClNO2
Molecular Weight
219.710000
Exact Mass
219.102607
SMILES
CCOC(=O)C1CC2CNCC2C1.Cl
InChI
InChI=1S/C10H17NO2.ClH/c1-2-13-10(12)7-3-8-5-11-6-9(8)4-7;/h7-9,11H,2-6H2,1H3;1H
InChIKey
UOFBYUYFCIVCEU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.45
TPSA
38.33
LogP / Solubility
WLOGP
1.22
MLOGP
1.07
XLogP3
1.22
Consensus LogP
1.17
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
Class (SILICOS-IT)
Moderately 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)
-3.2
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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