CAS RN: 1185311-75-4
3-Chloro-6-(piperidin-3-ylMethoxy)-pyridazine hydrochloride
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.20251005 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185311-75-4
- Purity/Analytical Methods: >99.0%
1185311-75-4 / 3-chloro-6-(piperidin-3-ylmethoxy)pyridazine;hydrochloride
3-Chloro-6-(piperidin-3-ylmethoxy)pyridazine hydrochloride | 3-Chloro-6-(piperidin-3-ylmethoxy)-pyridazine hydrochloride | 3-chloro-6-[(piperidin-3-yl)methoxy]pyridazine hydrochloride
Basic Information
CAS
1185311-75-4
Multi CAS
No
Molecular Formula
C10H15Cl2N3O
Molecular Weight
264.150000
Exact Mass
263.059218
SMILES
C1CC(CNC1)COC2=NN=C(C=C2)Cl.Cl
InChI
InChI=1S/C10H14ClN3O.ClH/c11-9-3-4-10(14-13-9)15-7-8-2-1-5-12-6-8;/h3-4,8,12H,1-2,5-7H2;1H
InChIKey
FNRRATRYKCAWCC-UHFFFAOYSA-N
Synonyms
3-Chloro-6-(piperidin-3-ylmethoxy)pyridazine hydrochloride
3-Chloro-6-(piperidin-3-ylmethoxy)-pyridazine hydrochloride
3-chloro-6-[(piperidin-3-yl)methoxy]pyridazine hydrochloride
DTXSID60671654
SBB075334
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.38
TPSA
47.04
LogP / Solubility
WLOGP
1.93
MLOGP
1.71
XLogP3
1.93
Consensus LogP
1.86
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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