CAS RN: 1729-17-5
1-(p-tolyl)guanidine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260221 | 5g / 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1729-17-5
- Purity/Analytical Methods: >99.0%
1729-17-5 / [amino(dimethylamino)methylidene]-dimethylazanium chloride
Basic Information
CAS
1729-17-5
Multi CAS
No
Molecular Formula
C5H14ClN3
Molecular Weight
151.640000
Exact Mass
151.087625
SMILES
CN(C)C(=[N+](C)C)N.[Cl-]
InChI
InChI=1S/C5H13N3.ClH/c1-7(2)5(6)8(3)4;/h6H,1-4H3;1H
InChIKey
GMGZEOLIKDSQTL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
34.99
TPSA
32.27
LogP / Solubility
WLOGP
-3.86
MLOGP
-3.4
XLogP3
-3.86
Consensus LogP
-3.71
Log S (ESOL)
1.65
Class (ESOL)
Highly soluble
Log S (Ali)
1.98
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.56
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1729-63-1 10,11-Dihydro-5H-dibenzo[a,d]cycloheptene-5-carbonitrile molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
10,11-Dihydro-5H-dibenzo[a,d]cycloheptene-5-carbonitrile
- CAS RN: 1729-63-1
- Product Code: starshine_CAS1729-63-1
- Purity/Analytical method: >99.0%
-
-
-
-
-
![CAS 1729-63-1 10,11-Dihydro-5H-dibenzo[a,d]cycloheptene-5-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1729-63-1.gif)
