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CAS 1081-32-9 6-(tert-Butyl)naphthalen-2-ol molecular structure lightbox
CAS RN: 1081-32-9

6-(tert-Butyl)naphthalen-2-ol

  • Product code: SSC-009368
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1081-32-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 3 In Stock Shanghai Inquiry
0.25g >95% 3 In Stock Shenzhen Inquiry
1g >95% 3 In Stock Shanghai Inquiry
5g >95% 3 In Stock Shenzhen Inquiry
10g >95% 3 In Stock Shanghai Inquiry
25g >95% 3 In Stock Hong Kong Inquiry

1081-32-9 / 6-tert-butylnaphthalen-2-ol

6-(tert-butyl)naphthalen-2-ol | 6-TERT-BUTYLNAPHTHALEN-2-OL | 6-tert-butyl-2-naphthol

Standard CAS: 1081-32-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1081-32-9
Multi CAS
No
Molecular Formula
C14H16O
Molecular Weight
200.280000
Exact Mass
200.120115
SMILES
CC(C)(C)C1=CC2=C(C=C1)C=C(C=C2)O
InChI
InChI=1S/C14H16O/c1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12/h4-9,15H,1-3H3
InChIKey
AGGQWKSLBYWQFS-UHFFFAOYSA-N
Synonyms
6-(tert-butyl)naphthalen-2-ol 6-TERT-BUTYLNAPHTHALEN-2-OL 6-tert-butyl-2-naphthol 6-(tert-Butyl)-2-naphthol MFCD09965972

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
64.31
TPSA
20.23

LogP / Solubility

WLOGP
3.84
MLOGP
3.38
XLogP3
4.5
Consensus LogP
3.91
Log S (ESOL)
-4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.21

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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