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CAS 116233-17-1 5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenamine molecular structure lightbox
CAS RN: 116233-17-1

5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenamine

Product Availability

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4 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250321 25g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260628 100mg Out of stock Inquiry
Batchno.20250401 1g Out of stock Inquiry
Batchno.20250123 250mg Out of stock Inquiry
  • Product code: SSC-016350
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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 116233-17-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

116233-17-1 / 3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-amine

3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-amine | 2-Naphthalenamine, 5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl- | 3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-amine

Standard CAS: 116233-17-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
116233-17-1
Multi CAS
No
Molecular Formula
C15H23N
Molecular Weight
217.350000
Exact Mass
217.183050
SMILES
CC1=CC2=C(C=C1N)C(CCC2(C)C)(C)C
InChI
InChI=1S/C15H23N/c1-10-8-11-12(9-13(10)16)15(4,5)7-6-14(11,2)3/h8-9H,6-7,16H2,1-5H3
InChIKey
NDQSUCPZRPRYLX-UHFFFAOYSA-N
Synonyms
3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-amine 2-Naphthalenamine, 5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl- 3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-amine MFCD22572337 5,6,7,8-TETRAHYDRO-3,5,5,8,8-PENTAMETHYL-2-NAPHTHALENAMINE

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
70.88
TPSA
26.02

LogP / Solubility

WLOGP
3.93
MLOGP
3.46
XLogP3
4.7
Consensus LogP
4.03
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.33
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)
-1.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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