CAS RN: 1057682-03-7
(S)-6-(3-Methylpiperazin-1-yl)nicotinonitrile
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.20250224 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1057682-03-7
- Purity/Analytical Methods: >99.0%
1057682-03-7 / 6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
(S)-6-(3-Methylpiperazin-1-yl)nicotinonitrile | 6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile | MFCD17488803
Basic Information
CAS
1057682-03-7
Multi CAS
Yes
Molecular Formula
C11H14N4
Molecular Weight
202.260000
Exact Mass
202.121846
SMILES
C[C@H]1CN(CCN1)C2=NC=C(C=C2)C#N
InChI
InChI=1S/C11H14N4/c1-9-8-15(5-4-13-9)11-3-2-10(6-12)7-14-11/h2-3,7,9,13H,4-5,8H2,1H3/t9-/m0/s1
InChIKey
USAKGOYBWIQOPV-VIFPVBQESA-N
Synonyms
(S)-6-(3-Methylpiperazin-1-yl)nicotinonitrile
6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
MFCD17488803
SCHEMBL3599989
DTXSID10657807
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.63
TPSA
51.95
LogP / Solubility
WLOGP
0.75
MLOGP
0.66
XLogP3
0.8
Consensus LogP
0.74
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
(R)-6-(3-methylpiperazin-1-yl)nicotinonitrile
- CAS RN: 1057682-05-9
- Product Code: starshine_CAS1057682-05-9
- Purity/Analytical method: >99.0%
-
-
4-BroMo-3-fluoro-benzoic acid tert-butyl ester
- CAS RN: 1057961-75-7
- Product Code: SSC-007500
-
2-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)-_4-(trifluoroMethyl)_benzenaMine
- CAS RN: 1058062-64-8
- Product Code: SSC-007505
-
-
8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol
- CAS RN: 1058166-28-1
- Product Code: SSC-007520
![CAS 1058166-28-1 8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1058166-28-1.gif)