CAS RN: 196192-00-4
1-benzyl-4-(纬-pyridyl)-1,2,5,6-tetrahydropyridine
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251124 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB927323
196192-00-4 / 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridine
Basic Information
CAS
196192-00-4
Multi CAS
No
Molecular Formula
C17H18N2
Molecular Weight
250.340000
Exact Mass
250.146999
SMILES
C1CN(CC=C1C2=CC=NC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C17H18N2/c1-2-4-15(5-3-1)14-19-12-8-17(9-13-19)16-6-10-18-11-7-16/h1-8,10-11H,9,12-14H2
InChIKey
GNGWXGBVJBGOBT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
78.55
TPSA
16.13
LogP / Solubility
WLOGP
3.37
MLOGP
2.97
XLogP3
2.6
Consensus LogP
2.98
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1833637-34-5 1-benzyl-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)piperidin-4-aMine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1-benzyl-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)piperidin-4-aMine
- CAS RN: 1833637-34-5
- Product Code: LINN926573
-
-
-
tert-Butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinoline-1(2H)-carboxylate
- CAS RN: 1912446-60-6
- Product Code: SSC-089616
-
1-BOC-4-(2-METHANESULFONYLOXY-ETHYL)-PIPERIDINE
- CAS RN: 147699-19-2
- Product Code: SSC-058240
-
Tert-Butyl 4-(3-iodo-1H-indazol-6-yl)piperazine-1-carboxylate
- CAS RN: 744219-44-1
- Product Code: LINT927379
![CAS 1833637-34-5 1-benzyl-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)piperidin-4-aMine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1833637-34-5.png)
