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CAS 2706-90-3 Nonafluorovaleric Acid (ca. 0.5mol/L in Water) [Ion-Pair Reagent for LC-MS] molecular structure lightbox
CAS RN: 2706-90-3

Nonafluorovaleric Acid (ca. 0.5mol/L in Water) [Ion-Pair Reagent for LC-MS]

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251130 100g In stock Shanghai, Wuhan Inquiry
Batchno.20260322 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250129 1kg In stock Shanghai Inquiry
Batchno.20250724 25g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20251226 500g In stock Shanghai Inquiry
Batchno.20250205 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-125752
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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: 1g, 5g, 10g, 25g, 100g, 500g
  • Available purity: ＞98%
  • Inventory rows with stock: 6
  • 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 2706-90-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞98% 5 In Stock Shenzhen Inquiry
5g ＞98% 4 In Stock Hong Kong Inquiry
10g ＞98% 4 In Stock Shenzhen Inquiry
25g ＞98% 4 In Stock Shenzhen Inquiry
100g ＞98% 3 In Stock Shanghai Inquiry
500g ＞98% 1 In Stock Shenzhen Inquiry

2706-90-3 / 2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid

Standard CAS: 2706-90-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2706-90-3
Multi CAS
No
Molecular Formula
C5HF9O2
Molecular Weight
264.050000
Exact Mass
263.983283
SMILES
C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16)
InChIKey
CXZGQIAOTKWCDB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
28.53
TPSA
37.3

LogP / Solubility

WLOGP
2.54
MLOGP
2.24
XLogP3
2.9
Consensus LogP
2.56
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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