[email protected]
CAS 700-85-6 1(3H)-ISOBENZOFURANONE, 5-FLUORO- molecular structure lightbox
CAS RN: 700-85-6

1(3H)-ISOBENZOFURANONE, 5-FLUORO-

  • Product code: SSC-179789
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: 0.25g, 1g, 5g, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 700-85-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry
1g >97% 2 In Stock Beijing Inquiry
5g >97% 2 In Stock Hong Kong Inquiry
10g >97% 2 In Stock Shenzhen Inquiry
25g >97% 2 In Stock Beijing Inquiry
100g >97% 0 Out of Stock Hong Kong Inquiry

700-85-6 / 5-fluorobenzene-1,3-dicarbaldehyde

Standard CAS: 700-85-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
700-85-6
Multi CAS
Yes
Molecular Formula
C8FH5O2
Molecular Weight
152.120000
Exact Mass
152.027358
InChI
InChI=1S/C8H5FO2/c9-8-2-6(4-10)1-7(3-8)5-11/h1-5H
InChIKey
QCQALMWFLWVAHO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
37.18
TPSA
34.14

LogP / Solubility

WLOGP
1.45
MLOGP
1.27
XLogP3
0.9
Consensus LogP
1.21
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately 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)
-2.62

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us