[email protected]
CAS 1007455-24-4 1H-Isoindol-1-one, 5-fluoro-2,3-dihydro-6-Methoxy- molecular structure lightbox
CAS RN: 1007455-24-4

1H-Isoindol-1-one, 5-fluoro-2,3-dihydro-6-Methoxy-

  • Product code: SSC-001448
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, 5g
  • Available purity: >95%
  • 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 1007455-24-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g >95% 0 Out of Stock Shenzhen Inquiry

1007455-24-4 / 5-fluoro-6-methoxy-2,3-dihydroisoindol-1-one

5-Fluoro-6-methoxyisoindolin-1-one | 5-FLUORO-6-METHOXY-2,3-DIHYDROISOINDOL-1-ONE | SCHEMBL4780926

Standard CAS: 1007455-24-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1007455-24-4
Multi CAS
No
Molecular Formula
C9H8FNO2
Molecular Weight
181.160000
Exact Mass
181.053907
SMILES
COC1=C(C=C2CNC(=O)C2=C1)F
InChI
InChI=1S/C9H8FNO2/c1-13-8-3-6-5(2-7(8)10)4-11-9(6)12/h2-3H,4H2,1H3,(H,11,12)
InChIKey
DUFVNTNQUIWAFV-UHFFFAOYSA-N
Synonyms
5-Fluoro-6-methoxyisoindolin-1-one 5-FLUORO-6-METHOXY-2,3-DIHYDROISOINDOL-1-ONE SCHEMBL4780926 DTXSID70739976 MFCD20482374

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.12
TPSA
38.33

LogP / Solubility

WLOGP
1.08
MLOGP
0.95
XLogP3
0.8
Consensus LogP
0.94
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
Class (SILICOS-IT)
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)
-3.06

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us