CAS RN: 39978-26-2
N-(2-hydrazinyl-2-oxoethyl)thiophene-2-carboxamide
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.20260217 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS39978-26-2
- Purity/Analytical Methods: >99.0%
39978-26-2 / N-(2-hydrazinyl-2-oxoethyl)thiophene-2-carboxamide
Basic Information
CAS
39978-26-2
Multi CAS
No
Molecular Formula
C7H9N3O2S
Molecular Weight
199.230000
Exact Mass
199.041548
InChI
InChI=1S/C7H9N3O2S/c8-10-6(11)4-9-7(12)5-2-1-3-13-5/h1-3H,4,8H2,(H,9,12)(H,10,11)
InChIKey
HGCJMJNFNMTOJX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
48.98
TPSA
84.22
LogP / Solubility
WLOGP
-0.53
MLOGP
-0.47
XLogP3
-0.2
Consensus LogP
-0.4
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-0.81
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.87
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.31
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
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