[email protected]
CAS 1240257-03-7 2-Fluoro-4-(pentafluorosulfur)benzoic acid molecular structure lightbox
CAS RN: 1240257-03-7

2-Fluoro-4-(pentafluorosulfur)benzoic acid

  • Product code: SSC-027705
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: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 1240257-03-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
1g >97% 1 In Stock Hong Kong Inquiry

1240257-03-7 / 2-fluoro-4-(pentafluoro-lambda6-sulfanyl)benzoic acid

Standard CAS: 1240257-03-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1240257-03-7
Multi CAS
No
Molecular Formula
C7H4F6O2S
Molecular Weight
266.160000
Exact Mass
265.983620
SMILES
C1=CC(=C(C=C1S(F)(F)(F)(F)F)F)C(=O)O
InChI
InChI=1S/C7H4F6O2S/c8-6-3-4(16(9,10,11,12)13)1-2-5(6)7(14)15/h1-3H,(H,14,15)
InChIKey
MGIDEXWQQLSCGW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.76
TPSA
37.3

LogP / Solubility

WLOGP
4.18
MLOGP
3.69
XLogP3
5.2
Consensus LogP
4.36
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-1.37

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