![CAS 128918-28-5 3-AMINO-4,6-DIMETHYLTHIENO[2,3-B]PYRIDINE-2-CARBOHYDRAZIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/128918-28-5.gif)
CAS RN: 128918-28-5
3-AMINO-4,6-DIMETHYLTHIENO[2,3-B]PYRIDINE-2-CARBOHYDRAZIDE
- Product code: SSC-036109
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
128918-28-5 / 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbohydrazide
Basic Information
CAS
128918-28-5
Multi CAS
No
Molecular Formula
C10H12N4OS
Molecular Weight
236.300000
Exact Mass
236.073182
SMILES
CC1=CC(=NC2=C1C(=C(S2)C(=O)NN)N)C
InChI
InChI=1S/C10H12N4OS/c1-4-3-5(2)13-10-6(4)7(11)8(16-10)9(15)14-12/h3H,11-12H2,1-2H3,(H,14,15)
InChIKey
FOUODUVGPUPSNW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
3
Molar refractivity
65.16
TPSA
94.03
LogP / Solubility
WLOGP
1.1
MLOGP
0.97
XLogP3
1.7
Consensus LogP
1.26
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-3.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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