![CAS 220641-11-2 Guanidine,N-cyano-N’-(4-cyanophenyl)-N”-[(1R)-1,2,2-trimethylpropyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/220641-11-2.gif)
CAS RN: 220641-11-2
Guanidine,N-cyano-N’-(4-cyanophenyl)-N”-[(1R)-1,2,2-trimethylpropyl]-
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.20260528 | 1mg / 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS220641-11-2
- Purity/Analytical Methods: >99.0%
220641-11-2 / 1-cyano-3-(4-cyanophenyl)-2-[(2R)-3,3-dimethylbutan-2-yl]guanidine
Basic Information
CAS
220641-11-2
Multi CAS
No
Molecular Formula
C15H19N5
Molecular Weight
269.340000
Exact Mass
269.164046
SMILES
C[C@H](C(C)(C)C)N=C(NC#N)NC1=CC=C(C=C1)C#N
InChI
InChI=1S/C15H19N5/c1-11(15(2,3)4)19-14(18-10-17)20-13-7-5-12(9-16)6-8-13/h5-8,11H,1-4H3,(H2,18,19,20)/t11-/m1/s1
InChIKey
PGYDRGZVXVVZQC-LLVKDONJSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
79.88
TPSA
84
LogP / Solubility
WLOGP
2.83
MLOGP
2.5
XLogP3
3.5
Consensus LogP
2.94
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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4-Pyridinecarboxylic acid, 2-[(1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)sulfonyl]hydrazide
- CAS RN: 220654-99-9
- Product Code: starshine_CAS220654-99-9
- Purity/Analytical method: >99.0%
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![CAS 220654-99-9 4-Pyridinecarboxylic acid, 2-[(1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)sulfonyl]hydrazide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/220654-99-9.gif)
