CAS RN: 1997319-92-2
2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250613 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1997319-92-2
- Purity/Analytical Methods: >99.0%
1997319-92-2 / 2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol
Basic Information
CAS
1997319-92-2
Multi CAS
No
Molecular Formula
C14H17N5O
Molecular Weight
271.320000
Exact Mass
271.143310
SMILES
C1CN(CCN1)C2=CC(=NN=C2N)C3=CC=CC=C3O
InChI
InChI=1S/C14H17N5O/c15-14-12(19-7-5-16-6-8-19)9-11(17-18-14)10-3-1-2-4-13(10)20/h1-4,9,16,20H,5-8H2,(H2,15,18)
InChIKey
SZKHGLTYXIDOFH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
3
Molar refractivity
78.63
TPSA
87.3
LogP / Solubility
WLOGP
0.84
MLOGP
0.75
XLogP3
0.3
Consensus LogP
0.63
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-3.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
Canagliflozin D4
- CAS RN: 1997338-61-0
- Product Code: starshine_CAS1997338-61-0
- Purity/Analytical method: >99.0%
-
1-((S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl)-3-((S)-1-(thiophen-3-yl)propan-2-yl)urea
- CAS RN: 1997387-43-5
- Product Code: SSC-094012
-
-
7-bromo-5-methoxybenzo[d]thiazol-2-amine
- CAS RN: 1998062-49-9
- Product Code: starshine_CAS1998062-49-9
- Purity/Analytical method: >99.0%
-
Cy7 Alkyne
- CAS RN: 1998119-13-3
- Product Code: starshine_CAS1998119-13-3
- Purity/Analytical method: >99.0%
-
Cloniprazepam
- CAS RN: 1998158-84-1
- Product Code: starshine_CAS1998158-84-1
- Purity/Analytical method: >99.0%
![CAS 1998062-49-9 7-bromo-5-methoxybenzo[d]thiazol-2-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1998062-49-9.gif)
