CAS RN: 1210906-48-1
Benzamide, 4-cyano-N-cyclopropyl-N-(2-thienylmethyl)-
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260114 | 5mg / 25mg / 50mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260315 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250526 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260331 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250330 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250405 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260305 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250324 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1210906-48-1
- Purity/Analytical Methods: >99.0%
1210906-48-1 / 4-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
MR837 | 4-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide | CHEMBL4758943
Basic Information
CAS
1210906-48-1
Multi CAS
Yes
Molecular Formula
C16H14N2OS
Molecular Weight
282.400000
Exact Mass
282.082684
SMILES
C1CC1N(CC2=CC=CS2)C(=O)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C16H14N2OS/c17-10-12-3-5-13(6-4-12)16(19)18(14-7-8-14)11-15-2-1-9-20-15/h1-6,9,14H,7-8,11H2
InChIKey
WYAGGMZTARRIDX-UHFFFAOYSA-N
Synonyms
MR837
4-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CHEMBL4758943
4-cyano-N-cyclopropyl-N-[(thiophen-2-yl)methyl]benzamide
ZINC30303842
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
78.37
TPSA
44.1
LogP / Solubility
WLOGP
3.42
MLOGP
3.02
XLogP3
2.9
Consensus LogP
3.11
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
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)
-2.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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