CAS RN: 1911398-16-7
1-(5-bromo-6-methylpyridin-2-yl)-4-(cyclopropylmethyl)piperazine
- Product code: SSC-089560
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: 5g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1911398-16-7 / 1-(5-bromo-6-methyl-2-pyridinyl)-4-(cyclopropylmethyl)piperazine
Basic Information
CAS
1911398-16-7
Multi CAS
No
Molecular Formula
C14H20BrN3
Molecular Weight
310.230000
Exact Mass
309.084060
SMILES
CC1=C(C=CC(=N1)N2CCN(CC2)CC3CC3)Br
InChI
InChI=1S/C14H20BrN3/c1-11-13(15)4-5-14(16-11)18-8-6-17(7-9-18)10-12-2-3-12/h4-5,12H,2-3,6-10H2,1H3
InChIKey
CGLRLRYZTZRUSN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
78.05
TPSA
19.37
LogP / Solubility
WLOGP
2.68
MLOGP
2.38
XLogP3
3
Consensus LogP
2.69
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.26
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71
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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