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CAS 29809-13-0 5,6,7,8-tetrahydronaphthalene-1-carbonitrile molecular structure lightbox
CAS RN: 29809-13-0

5,6,7,8-tetrahydronaphthalene-1-carbonitrile

Product Availability

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250413 100mg In stock Shanghai Inquiry
Batchno.20250715 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250522 1g Out of stock Inquiry
Batchno.20251125 250mg Out of stock Inquiry
  • Product code: SSC-133001
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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: ≥95%
  • 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 29809-13-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

29809-13-0 / 5,6,7,8-tetrahydronaphthalene-1-carbonitrile

Standard CAS: 29809-13-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
29809-13-0
Multi CAS
No
Molecular Formula
C11H11N
Molecular Weight
157.210000
Exact Mass
157.089149
InChI
InChI=1S/C11H11N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h3,5-6H,1-2,4,7H2
InChIKey
PYPOBLLWIOJZEJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.36
H-bond acceptors
1
Molar refractivity
47.8
TPSA
23.79

LogP / Solubility

WLOGP
2.44
MLOGP
2.14
XLogP3
3
Consensus LogP
2.53
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-1.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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