[email protected]
CAS 1188047-07-5 7-BroMobenzo[d]thiazol-2(3H)-one molecular structure lightbox
CAS RN: 1188047-07-5

7-BroMobenzo[d]thiazol-2(3H)-one

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260225 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1188047-07-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1188047-07-5 / 7-bromo-3H-1,3-benzothiazol-2-one

7-Bromobenzo[d]thiazol-2(3H)-one | 7-bromo-3H-1,3-benzothiazol-2-one | MFCD09749232

Standard CAS: 1188047-07-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1188047-07-5
Multi CAS
No
Molecular Formula
C7H4BrNOS
Molecular Weight
230.080000
Exact Mass
228.919700
SMILES
C1=CC2=C(C(=C1)Br)SC(=O)N2
InChI
InChI=1S/C7H4BrNOS/c8-4-2-1-3-5-6(4)11-7(10)9-5/h1-3H,(H,9,10)
InChIKey
DUDUUPPIGMFBOY-UHFFFAOYSA-N
Synonyms
7-Bromobenzo[d]thiazol-2(3H)-one 7-bromo-3H-1,3-benzothiazol-2-one MFCD09749232 7-bromo-2,3-dihydro-1,3-benzothiazol-2-one 7-Bromo-1,3-benzothiazol-2(3H)-one

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.15
TPSA
32.86

LogP / Solubility

WLOGP
2.35
MLOGP
2.07
XLogP3
2.4
Consensus LogP
2.27
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45

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