[email protected]
CAS 29083-16-7 5-CHLOROSACCHARIN molecular structure lightbox
CAS RN: 29083-16-7

5-CHLOROSACCHARIN

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260304 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS29083-16-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

29083-16-7 / 5-chloro-1,1-dioxo-1,2-benzothiazol-3-one

Standard CAS: 29083-16-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
29083-16-7
Multi CAS
No
Molecular Formula
C7H4CLNO3S
Molecular Weight
217.630000
Exact Mass
216.960042
InChI
InChI=1S/C7H4ClNO3S/c8-4-1-2-6-5(3-4)7(10)9-13(6,11)12/h1-3H,(H,9,10)
InChIKey
WGKQCRDCROUYLI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.1
TPSA
63.24

LogP / Solubility

WLOGP
0.77
MLOGP
0.68
XLogP3
1.5
Consensus LogP
0.98
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
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)
-3.5

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