CAS RN: 3810-35-3
tenonitrozole
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.20260624 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS3810-35-3
- Purity/Analytical Methods: >99.0%
3810-35-3 / N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide
Basic Information
CAS
3810-35-3
Multi CAS
No
Molecular Formula
C8H5N3O3S2
Molecular Weight
255.300000
Exact Mass
254.977233
InChI
InChI=1S/C8H5N3O3S2/c12-7(5-2-1-3-15-5)10-8-9-4-6(16-8)11(13)14/h1-4H,(H,9,10,12)
InChIKey
ZLOXYEZYWCTXHU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
61.04
TPSA
85.13
LogP / Solubility
WLOGP
2.37
MLOGP
2.09
XLogP3
3
Consensus LogP
2.49
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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