![CAS 2099128-80-8 Pyridine, 2-bromo-5-[(1-methyl-4-piperidinyl)oxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2099128-80-8.png)
CAS RN: 2099128-80-8
Pyridine, 2-bromo-5-[(1-methyl-4-piperidinyl)oxy]-
- Product code: SSC-099819
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
2099128-80-8 / 2-bromo-5-(1-methylpiperidin-4-yl)oxypyridine
Basic Information
CAS
2099128-80-8
Multi CAS
No
Molecular Formula
C11H15BrN2O
Molecular Weight
271.150000
Exact Mass
270.036780
SMILES
CN1CCC(CC1)OC2=CN=C(C=C2)Br
InChI
InChI=1S/C11H15BrN2O/c1-14-6-4-9(5-7-14)15-10-2-3-11(12)13-8-10/h2-3,8-9H,4-7H2,1H3
InChIKey
YZRQVXSQYSZSFI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
63.08
TPSA
25.36
LogP / Solubility
WLOGP
2.32
MLOGP
2.05
XLogP3
2.4
Consensus LogP
2.26
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
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)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 2100284-59-9 (S)-2-(6-bromobenzo[d][1,3]dioxol-5-yl)-N-(4-cyanophenyl)-1-(1-cyclohexylethyl)-1H-benzo[d]imidazole-5-carboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2100284-59-9.png)
