![CAS 338760-78-4 5-[(4-CHLOROPHENYL)SULFANYL]-1,2,3-THIADIAZOLE-4-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB7778867(1).gif)
CAS RN: 338760-78-4
5-[(4-CHLOROPHENYL)SULFANYL]-1,2,3-THIADIAZOLE-4-CARBOXYLIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260626 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS338760-78-4
- Purity/Analytical Methods: >99.0%
338760-78-4 / 5-(4-chlorophenyl)sulfanylthiadiazole-4-carboxylic acid
Basic Information
CAS
338760-78-4
Multi CAS
No
Molecular Formula
C9H5CLN2O2S2
Molecular Weight
272.700000
Exact Mass
271.948097
InChI
InChI=1S/C9H5ClN2O2S2/c10-5-1-3-6(4-2-5)15-9-7(8(13)14)11-12-16-9/h1-4H,(H,13,14)
InChIKey
NDYKFFAREALEPX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
62.44
TPSA
63.08
LogP / Solubility
WLOGP
3.04
MLOGP
2.68
XLogP3
3.3
Consensus LogP
3.01
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly 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)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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