CAS RN: 224049-04-1
Isotianil
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260612 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS224049-04-1
- Purity/Analytical Methods: >99.0%
224049-04-1 / 3,4-dichloro-N-(2-cyanophenyl)-1,2-thiazole-5-carboxamide
Basic Information
CAS
224049-04-1
Multi CAS
No
Molecular Formula
C11H5Cl2N3OS
Molecular Weight
298.100000
Exact Mass
296.953038
SMILES
C1=CC=C(C(=C1)C#N)NC(=O)C2=C(C(=NS2)Cl)Cl
InChI
InChI=1S/C11H5Cl2N3OS/c12-8-9(18-16-10(8)13)11(17)15-7-4-2-1-3-6(7)5-14/h1-4H,(H,15,17)
InChIKey
WLPCAERCXQSYLQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
71.24
TPSA
65.78
LogP / Solubility
WLOGP
3.57
MLOGP
3.16
XLogP3
4
Consensus LogP
3.58
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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