CAS RN: 25514-67-4
5-CYANOGRAMINE
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.20260122 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS25514-67-4
- Purity/Analytical Methods: >99.0%
25514-67-4 / 3-[(dimethylamino)methyl]-1H-indole-5-carbonitrile
Basic Information
CAS
25514-67-4
Multi CAS
No
Molecular Formula
C12H13N3
Molecular Weight
199.250000
Exact Mass
199.110947
SMILES
CN(C)CC1=CNC2=C1C=C(C=C2)C#N
InChI
InChI=1S/C12H13N3/c1-15(2)8-10-7-14-12-4-3-9(6-13)5-11(10)12/h3-5,7,14H,8H2,1-2H3
InChIKey
JOPBIDDQPQFQHZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.4
TPSA
42.82
LogP / Solubility
WLOGP
2.1
MLOGP
1.85
XLogP3
1.6
Consensus LogP
1.85
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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