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CAS 1206-13-9 1-(4-Methylphenyl)-1-cyclohexanecarbonitrile molecular structure lightbox
CAS RN: 1206-13-9

1-(4-Methylphenyl)-1-cyclohexanecarbonitrile

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260623 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-021614
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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 1206-13-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1206-13-9 / 1-(4-methylphenyl)cyclohexane-1-carbonitrile

1-(4-Methylphenyl)cyclohexanecarbonitrile | EINECS 214-888-4 | DTXSID20152919

Standard CAS: 1206-13-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1206-13-9
Multi CAS
Yes
Molecular Formula
C14H17N
Molecular Weight
199.290000
Exact Mass
199.136100
SMILES
CC1=CC=C(C=C1)C2(CCCCC2)C#N
InChI
InChI=1S/C14H17N/c1-12-5-7-13(8-6-12)14(11-15)9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3
InChIKey
JFUXEEYLCATFIB-UHFFFAOYSA-N
Synonyms
1-(4-Methylphenyl)cyclohexanecarbonitrile EINECS 214-888-4 DTXSID20152919 NSC 155170 RefChem:74528

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
61.56
TPSA
23.79

LogP / Solubility

WLOGP
3.72
MLOGP
3.27
XLogP3
3.9
Consensus LogP
3.63
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.29

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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