CAS RN: 1185310-37-5
3-chloro-6-(3-chloropiperidin-1-yl)pyridazine
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.20250226 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185310-37-5
- Purity/Analytical Methods: >99.0%
1185310-37-5 / 3-chloro-6-(3-chloropiperidin-1-yl)pyridazine
3-chloro-6-(3-chloropiperidin-1-yl)pyridazine | 6-chloro-3-(3-chloropiperidyl)pyridazine | DTXSID80671656
Basic Information
CAS
1185310-37-5
Multi CAS
No
Molecular Formula
C9H11Cl2N3
Molecular Weight
232.110000
Exact Mass
231.033003
SMILES
C1CC(CN(C1)C2=NN=C(C=C2)Cl)Cl
InChI
InChI=1S/C9H11Cl2N3/c10-7-2-1-5-14(6-7)9-4-3-8(11)12-13-9/h3-4,7H,1-2,5-6H2
InChIKey
CAKBDTRGSAJUFZ-UHFFFAOYSA-N
Synonyms
3-chloro-6-(3-chloropiperidin-1-yl)pyridazine
6-chloro-3-(3-chloropiperidyl)pyridazine
DTXSID80671656
SBB075879
AKOS015941355
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
58.13
TPSA
29.02
LogP / Solubility
WLOGP
2.34
MLOGP
2.06
XLogP3
2.4
Consensus LogP
2.27
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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![CAS 1185310-97-7 3′-Chloro-5′-trifluoroMethyl-3,4,5,6-tetrahydro-2H-[1,2′]bipyridinyl-4-ylaMine hydrochloride, 98+% C11H14Cl2F3N3, MW: 316.15 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1185310-97-7.gif)
