[email protected]
CAS 2122-70-5 Ethyl 1-Naphthaleneacetate molecular structure lightbox
CAS RN: 2122-70-5

Ethyl 1-Naphthaleneacetate

  • Product code: SSC-101362
GET A QUOTE
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: 100g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 2122-70-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g >95% 5 In Stock Shanghai Inquiry
25g >95% 3 In Stock Beijing Inquiry

2122-70-5 / ethyl 2-naphthalen-1-ylacetate

Standard CAS: 2122-70-5 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2122-70-5
Multi CAS
No
Molecular Formula
C14H14O2
Molecular Weight
214.260000
Exact Mass
214.099380
SMILES
CCOC(=O)CC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C14H14O2/c1-2-16-14(15)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,2,10H2,1H3
InChIKey
XIDPSKQLXKCVQN-UHFFFAOYSA-N

Physical Properties

Melting Point
88.5 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.21
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
64.29
TPSA
26.3

LogP / Solubility

WLOGP
2.95
MLOGP
2.59
XLogP3
3.4
Consensus LogP
2.98
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.94

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us