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CAS 108368-96-3 4-Ethyl-1-naphthaleneMethanol molecular structure lightbox
CAS RN: 108368-96-3

4-Ethyl-1-naphthaleneMethanol

  • Product code: starshine_CAS108368-96-3
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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: 0.1g, 0.25g, 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 108368-96-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g 95%+ 0 Out of Stock Beijing Inquiry
0.25g 95%+ 0 Out of Stock Shanghai Inquiry
1g 95%+ 0 Out of Stock Shenzhen Inquiry

108368-96-3 / (4-ethylnaphthalen-1-yl)methanol

(4-ethylnaphthalen-1-yl)methanol | MFCD28127490 | SB84364

Standard CAS: 108368-96-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
108368-96-3
Multi CAS
No
Molecular Formula
C13H14O
Molecular Weight
186.250000
Exact Mass
186.104465
SMILES
CCC1=CC=C(C2=CC=CC=C12)CO
InChI
InChI=1S/C13H14O/c1-2-10-7-8-11(9-14)13-6-4-3-5-12(10)13/h3-8,14H,2,9H2,1H3
InChIKey
OUMULWHRMXBMGC-UHFFFAOYSA-N
Synonyms
(4-ethylnaphthalen-1-yl)methanol MFCD28127490 SB84364 DA-21164

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
59.25
TPSA
20.23

LogP / Solubility

WLOGP
2.89
MLOGP
2.55
XLogP3
3.2
Consensus LogP
2.88
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.8

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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