![CAS 24237-37-4 2-AMINO-6-BENZYL-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBONITRILE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/24237-37-4.gif)
CAS RN: 24237-37-4
2-AMINO-6-BENZYL-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBONITRILE
- Product code: SSC-118318
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 | Hong Kong | Inquiry |
24237-37-4 / 2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
Basic Information
CAS
24237-37-4
Multi CAS
No
Molecular Formula
C15H15N3S
Molecular Weight
269.400000
Exact Mass
269.098669
SMILES
C1CN(CC2=C1C(=C(S2)N)C#N)CC3=CC=CC=C3
InChI
InChI=1S/C15H15N3S/c16-8-13-12-6-7-18(10-14(12)19-15(13)17)9-11-4-2-1-3-5-11/h1-5H,6-7,9-10,17H2
InChIKey
BWNBNBHFRHCKTK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
77.71
TPSA
53.05
LogP / Solubility
WLOGP
2.76
MLOGP
2.44
XLogP3
2.9
Consensus LogP
2.7
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly 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)
-2.4
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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