CAS RN: 1185314-18-4
4-Chloro-6-(piperidin-4-yloxy)-pyriMidine hydrochloride, 98+% C9H13Cl2N3O, MW: 250.12
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.20260326 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185314-18-4
- Purity/Analytical Methods: >99.0%
1185314-18-4 / 4-chloro-6-piperidin-4-yloxypyrimidine;hydrochloride
4-chloro-6-(piperidin-4-yloxy)pyrimidine hydrochloride | 4-Chloro-6-(piperidin-4-yloxy)-pyrimidine hydrochloride | 4-chloro-6-piperidin-4-yloxypyrimidine;hydrochloride
Basic Information
CAS
1185314-18-4
Multi CAS
No
Molecular Formula
C9H13Cl2N3O
Molecular Weight
250.120000
Exact Mass
249.043567
SMILES
C1CNCCC1OC2=CC(=NC=N2)Cl.Cl
InChI
InChI=1S/C9H12ClN3O.ClH/c10-8-5-9(13-6-12-8)14-7-1-3-11-4-2-7;/h5-7,11H,1-4H2;1H
InChIKey
AKQNJTIGJXTHJG-UHFFFAOYSA-N
Synonyms
4-chloro-6-(piperidin-4-yloxy)pyrimidine hydrochloride
4-Chloro-6-(piperidin-4-yloxy)-pyrimidine hydrochloride
4-chloro-6-piperidin-4-yloxypyrimidine;hydrochloride
6-Chloro-4-pyrimidinyl 4-piperidinyl etherhydrochloride
DTXSID70671600
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
60.81
TPSA
47.04
LogP / Solubility
WLOGP
1.68
MLOGP
1.49
XLogP3
1.68
Consensus LogP
1.62
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately 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)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 1185317-13-8 2-[(Piperidin-4-ylMethyl)-aMino]-nicotinic acid Methyl ester coMpoundwith trifluoro-acetic acid, 98+% C15H20F3N3O4, MW: 363.34 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1185317-13-8.gif)
