CAS RN: 1699727-68-8
Cyclopentanepropanenitrile, β-hydroxy-, (βS)-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250208 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-074594
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 | Shenzhen | Inquiry |
1699727-68-8 / (3S)-3-cyclopentyl-3-hydroxypropanenitrile
Basic Information
CAS
1699727-68-8
Multi CAS
No
Molecular Formula
C8H13NO
Molecular Weight
139.190000
Exact Mass
139.099714
SMILES
C1CCC(C1)[C@H](CC#N)O
InChI
InChI=1S/C8H13NO/c9-6-5-8(10)7-3-1-2-4-7/h7-8,10H,1-5H2/t8-/m0/s1
InChIKey
RNCFMUGYSVLAHZ-QMMMGPOBSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.19
TPSA
44.02
LogP / Solubility
WLOGP
1.45
MLOGP
1.27
XLogP3
1.1
Consensus LogP
1.27
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
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)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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