CAS RN: 4369-58-8
1-(3-AMINOPROPYL)-1H-1,2,3 TRIAZOLE HYDROCHLORIDE
- Product code: SSC-151799
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
4369-58-8 / 3-(triazol-1-yl)propan-1-amine;hydrochloride
Basic Information
CAS
4369-58-8
Multi CAS
Yes
Molecular Formula
C5H11CLN4
Molecular Weight
162.620000
Exact Mass
162.067224
InChI
InChI=1S/C5H10N4.2ClH/c6-2-1-4-9-5-3-7-8-9;;/h3,5H,1-2,4,6H2;2*1H
InChIKey
VASVVUGVYLVAGW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
40.94
TPSA
56.73
LogP / Solubility
WLOGP
0.05
MLOGP
0.04
XLogP3
0.05
Consensus LogP
0.05
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.12
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)
-3.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
2-CHLOROMETHYL-3-METHYL-PYRIDINE HYDROCHLORIDE
- CAS RN: 4370-22-3
- Product Code: SSC-151807
-
-
[1,1′-Biphenyl]-2,2′,5,5′-tetrol, 4,4′-dimethyl-
- CAS RN: 4371-34-0
- Product Code: SSC-151812
-
1,1′-Biphenyl]-2,2′,6,6′-tetrol
- CAS RN: 4371-35-1
- Product Code: starshine_CAS4371-35-1
- Purity/Analytical method: >99.0%
-
-
2-(4-Methylphenyl)-1-propanol
- CAS RN: 4371-50-0
- Product Code: starshine_CAS4371-50-0
- Purity/Analytical method: >99.0%
![CAS 4371-34-0 [1,1′-Biphenyl]-2,2′,5,5′-tetrol, 4,4′-dimethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/4371-34-0.gif)
![CAS 4371-35-1 1,1′-Biphenyl]-2,2′,6,6′-tetrol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/4371-35-1.gif)
