[email protected]
CAS 1187243-11-3 benzo[d]isothiazole-5-carbaldehyde molecular structure lightbox
CAS RN: 1187243-11-3

benzo[d]isothiazole-5-carbaldehyde

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260324 100mg / 250mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1187243-11-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1187243-11-3 / 1,2-benzothiazole-5-carbaldehyde

Benzo[d]isothiazole-5-carbaldehyde | 1,2-benzothiazole-5-carbaldehyde | 1,2-Benzisothiazole-5-carboxaldehyde

Standard CAS: 1187243-11-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1187243-11-3
Multi CAS
Yes
Molecular Formula
C8H5NOS
Molecular Weight
163.200000
Exact Mass
163.009185
SMILES
C1=CC2=C(C=C1C=O)C=NS2
InChI
InChI=1S/C8H5NOS/c10-5-6-1-2-8-7(3-6)4-9-11-8/h1-5H
InChIKey
UMRIHFYJENTDJA-UHFFFAOYSA-N
Synonyms
Benzo[d]isothiazole-5-carbaldehyde 1,2-benzothiazole-5-carbaldehyde 1,2-Benzisothiazole-5-carboxaldehyde MFCD22380533 ZB0382

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
45.01
TPSA
29.96

LogP / Solubility

WLOGP
2.11
MLOGP
1.85
XLogP3
1.8
Consensus LogP
1.92
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.22

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