[email protected]
CAS 10275-58-8 2,7-Di-tert-butylnaphthalene molecular structure lightbox
CAS RN: 10275-58-8

2,7-Di-tert-butylnaphthalene

  • Product code: SSC-004077
GET A QUOTE
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: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 10275-58-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry

10275-58-8 / 2,7-ditert-butylnaphthalene

2,7-Di-tert-butylnaphthalene | Naphthalene, 2,7-bis(1,1-dimethylethyl)- | Naphthalene, 2,7-di-tert-butyl-

Standard CAS: 10275-58-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10275-58-8
Multi CAS
No
Molecular Formula
C18H24
Molecular Weight
240.400000
Exact Mass
240.187801
SMILES
CC(C)(C)C1=CC2=C(C=C1)C=CC(=C2)C(C)(C)C
InChI
InChI=1S/C18H24/c1-17(2,3)15-9-7-13-8-10-16(18(4,5)6)12-14(13)11-15/h7-12H,1-6H3
InChIKey
IHRUNSCACKKOPP-UHFFFAOYSA-N
Synonyms
2,7-Di-tert-butylnaphthalene Naphthalene, 2,7-bis(1,1-dimethylethyl)- Naphthalene, 2,7-di-tert-butyl- DTXSID30346721 RefChem:83400

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.44
Rotatable bonds
2
Molar refractivity
81.35
TPSA
0.0000

LogP / Solubility

WLOGP
5.43
MLOGP
4.79
XLogP3
6.9
Consensus LogP
5.71
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.73
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)
-0.33

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501

Customers Also Viewed

Get In Touch

Contact Us