CAS RN: 132205-76-6
5-CHLORO-2,3-DIHYDRO-1H-INDENE-1-CARBONITRILE
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.20250908 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-039202
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 | Hong Kong | Inquiry |
132205-76-6 / 5-chloro-2,3-dihydro-1H-indene-1-carbonitrile
Basic Information
CAS
132205-76-6
Multi CAS
No
Molecular Formula
C10H8ClN
Molecular Weight
177.630000
Exact Mass
177.034527
SMILES
C1CC2=C(C1C#N)C=CC(=C2)Cl
InChI
InChI=1S/C10H8ClN/c11-9-3-4-10-7(5-9)1-2-8(10)6-12/h3-5,8H,1-2H2
InChIKey
ISXKBERZGFQBTM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
1
Molar refractivity
48.13
TPSA
23.79
LogP / Solubility
WLOGP
2.89
MLOGP
2.54
XLogP3
2.6
Consensus LogP
2.68
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
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)
-1.75
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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