[email protected]
CAS 98358-90-8 DBD-F [=4-(N,N-Dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole] [for HPLC Labeling] molecular structure lightbox
CAS RN: 98358-90-8

DBD-F [=4-(N,N-Dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole] [for HPLC Labeling]

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260115 100mg In stock Inquiry
Batchno.20251115 25mg In stock Shanghai Inquiry
Batchno.20260108 25mg Out of stock Inquiry
  • Product code: ICTA5595
  • Purity/Analytical Methods: >98.0%(HPLC)
GET A QUOTE

98358-90-8 / 7-fluoro-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide

Standard CAS: 98358-90-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
98358-90-8
Multi CAS
Yes
Molecular Formula
C8FH8N3O3S
Molecular Weight
245.230000
Exact Mass
245.027040
InChI
InChI=1S/C8H8FN3O3S/c1-12(2)16(13,14)6-4-3-5(9)7-8(6)11-15-10-7/h3-4H,1-2H3
InChIKey
YZWANFXENNWOOR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
52.63
TPSA
76.3

LogP / Solubility

WLOGP
0.61
MLOGP
0.54
XLogP3
0.4
Consensus LogP
0.52
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2
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)
-3.78

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