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CAS 73790-14-4 alpha,alpha-Difluoro-1-naphthaleneacetic Acid molecular structure lightbox
CAS RN: 73790-14-4

alpha,alpha-Difluoro-1-naphthaleneacetic Acid

  • Product code: SSC-183222
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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
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 73790-14-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Beijing Inquiry
0.25g ≥95% 2 In Stock Shenzhen Inquiry
1g ≥95% 2 In Stock Beijing Inquiry
5g ≥95% 2 In Stock Shanghai Inquiry

73790-14-4 / 2,2-difluoro-2-naphthalen-1-ylacetic acid

Standard CAS: 73790-14-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
73790-14-4
Multi CAS
No
Molecular Formula
C12F2H8O2
Molecular Weight
222.190000
Exact Mass
222.049236
InChI
InChI=1S/C12H8F2O2/c13-12(14,11(15)16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,15,16)
InChIKey
TXILYIHFGBMXDH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.48
TPSA
37.3

LogP / Solubility

WLOGP
3.02
MLOGP
2.66
XLogP3
3.4
Consensus LogP
3.03
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
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)
-1.93

Drug-likeness / Medicinal Chemistry

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

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