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CAS 1765-08-8 Sodium 2,4-difluorobenzoate molecular structure lightbox
CAS RN: 1765-08-8

Sodium 2,4-difluorobenzoate

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260531 100g In stock Shanghai Inquiry
Batchno.20250813 25g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20250303 5g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250805 5g / 25g / 100g / 500g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1765-08-8
  • Purity/Analytical Methods: >99.0%
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1765-08-8 / sodium 2,4-difluorobenzoate

Standard CAS: 1765-08-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1765-08-8
Multi CAS
No
Molecular Formula
C7H3F2NaO2
Molecular Weight
180.080000
Exact Mass
179.999880
SMILES
C1=CC(=C(C=C1F)F)C(=O)[O-].[Na+]
InChI
InChI=1S/C7H4F2O2.Na/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3H,(H,10,11);/q;+1/p-1
InChIKey
ZNMYMPIKSTUKOB-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
30.69
TPSA
40.13

LogP / Solubility

WLOGP
-2.67
MLOGP
-2.35
XLogP3
-2.67
Consensus LogP
-2.56
Log S (ESOL)
0.42
Class (ESOL)
Highly soluble
Log S (Ali)
0.89
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.26
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.71

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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