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CAS 1213099-69-4 (S)-1-aMino-2,3-dihydro-1H-indene-4-carbonitrile-HCl molecular structure lightbox
CAS RN: 1213099-69-4

(S)-1-aMino-2,3-dihydro-1H-indene-4-carbonitrile-HCl

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250524 100mg In stock Shanghai Inquiry
Batchno.20251005 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20260516 1g In stock Shanghai Inquiry
Batchno.20251104 250mg In stock Shanghai Inquiry
  • Product code: SSC-023228
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1213099-69-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1213099-69-4 / (1S)-1-amino-2,3-dihydro-1H-indene-4-carbonitrile

1-amino-2,3-dihydro-1H-indene-4-carbonitrile | 1-Aminoindane-4-carbonitrile | MFCD18650492

Standard CAS: 1213099-69-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1213099-69-4
Multi CAS
Yes
Molecular Formula
C10H10N2
Molecular Weight
158.200000
Exact Mass
158.084398
SMILES
C1CC2=C(C=CC=C2[C@H]1N)C#N
InChI
InChI=1S/C10H10N2/c11-6-7-2-1-3-9-8(7)4-5-10(9)12/h1-3,10H,4-5,12H2/t10-/m0/s1
InChIKey
ICKYBHPNMIHUPQ-JTQLQIEISA-N
Synonyms
1-amino-2,3-dihydro-1H-indene-4-carbonitrile 1-Aminoindane-4-carbonitrile MFCD18650492 CNE58YCS6Y 1-amino-indan-4-carbonitrile

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.41
TPSA
49.81

LogP / Solubility

WLOGP
1.5
MLOGP
1.32
XLogP3
0.9
Consensus LogP
1.24
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
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)
-2.62

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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