![CAS 1263378-05-7 Cyclopenta[c]pyrrol-5(1H)-one, hexahydro-, hydrochloride (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1263378-05-7.gif)
CAS RN: 1263378-05-7
Cyclopenta[c]pyrrol-5(1H)-one, hexahydro-, hydrochloride (1:1)
- Product code: SSC-033466
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1263378-05-7 / 2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-one;hydrochloride
Basic Information
CAS
1263378-05-7
Multi CAS
No
Molecular Formula
C7H12ClNO
Molecular Weight
161.630000
Exact Mass
161.060742
SMILES
C1C2CNCC2CC1=O.Cl
InChI
InChI=1S/C7H11NO.ClH/c9-7-1-5-3-8-4-6(5)2-7;/h5-6,8H,1-4H2;1H
InChIKey
VXGNCPOILAXTAM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.34
TPSA
29.1
LogP / Solubility
WLOGP
0.61
MLOGP
0.53
XLogP3
0.61
Consensus LogP
0.58
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
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)
-3.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
