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CAS 88982-87-0 4-CHLORO-5-ISOTHIAZOLE CARBOXYLIC ACID molecular structure lightbox
CAS RN: 88982-87-0

4-CHLORO-5-ISOTHIAZOLE CARBOXYLIC ACID

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251204 100mg / 250mg / 1g Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250204 100mg Out of stock Inquiry
  • Product code: starshine_CAS88982-87-0
  • Purity/Analytical Methods: >99.0%
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88982-87-0 / 4-chloro-1,2-thiazole-5-carboxylic acid

Standard CAS: 88982-87-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88982-87-0
Multi CAS
Yes
Molecular Formula
C4H2CLNO2S
Molecular Weight
163.580000
Exact Mass
162.949477
InChI
InChI=1S/C4H2ClNO2S/c5-2-1-6-9-3(2)4(7)8/h1H,(H,7,8)
InChIKey
ATQDAONQAQHTEM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.08
TPSA
50.19

LogP / Solubility

WLOGP
1.49
MLOGP
1.31
XLogP3
1.5
Consensus LogP
1.43
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
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)
-2.66

Drug-likeness / Medicinal Chemistry

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

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