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CAS 1134-62-9 2-BUTYLNAPHTHALENE molecular structure lightbox
CAS RN: 1134-62-9

2-BUTYLNAPHTHALENE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250127 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-013522
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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 1134-62-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1134-62-9 / 2-butylnaphthalene

Naphthalene, 2-butyl- | DTXSID30150401 | RefChem:1092248

Standard CAS: 1134-62-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1134-62-9
Multi CAS
No
Molecular Formula
C14H16
Molecular Weight
184.280000
Exact Mass
184.125201
SMILES
CCCCC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C14H16/c1-2-3-6-12-9-10-13-7-4-5-8-14(13)11-12/h4-5,7-11H,2-3,6H2,1H3
InChIKey
UKAMWVYNAVUZEA-UHFFFAOYSA-N
Synonyms
Naphthalene, 2-butyl- DTXSID30150401 RefChem:1092248 DTXCID1072892 2-BUTYLNAPHTHALENE

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.29
Rotatable bonds
3
Molar refractivity
62.56
TPSA
0.0000

LogP / Solubility

WLOGP
4.18
MLOGP
3.68
XLogP3
5.5
Consensus LogP
4.45
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.87

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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