CAS RN: 1632286-11-3
5-BroMo-2-(piperidin-3-yloxy)pyriMidine hydrochloride
- Product code: SSC-070895
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 | Beijing | Inquiry |
1632286-11-3 / 5-bromo-2-piperidin-3-yloxypyrimidine;hydrochloride
Basic Information
CAS
1632286-11-3
Multi CAS
No
Molecular Formula
C9H13BrClN3O
Molecular Weight
294.570000
Exact Mass
292.993050
SMILES
C1CC(CNC1)OC2=NC=C(C=N2)Br.Cl
InChI
InChI=1S/C9H12BrN3O.ClH/c10-7-4-12-9(13-5-7)14-8-2-1-3-11-6-8;/h4-5,8,11H,1-3,6H2;1H
InChIKey
FRINUEXVPWBMJV-UHFFFAOYSA-N
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
63.5
TPSA
47.04
LogP / Solubility
WLOGP
1.79
MLOGP
1.59
XLogP3
1.79
Consensus LogP
1.72
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
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)
-3.24
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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