![CAS 145105-06-2 Pyridine, 4-[1-(phenylmethyl)-3-pyrrolidinyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/145105-06-2.gif)
CAS RN: 145105-06-2
Pyridine, 4-[1-(phenylmethyl)-3-pyrrolidinyl]-
- Product code: SSC-056482
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 | Shenzhen | Inquiry |
145105-06-2 / 4-(1-benzylpyrrolidin-3-yl)pyridine
Basic Information
CAS
145105-06-2
Multi CAS
No
Molecular Formula
C16H18N2
Molecular Weight
238.330000
Exact Mass
238.146999
SMILES
C1CN(CC1C2=CC=NC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C16H18N2/c1-2-4-14(5-3-1)12-18-11-8-16(13-18)15-6-9-17-10-7-15/h1-7,9-10,16H,8,11-13H2
InChIKey
YRPAMRAMUWHMQL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.31
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
73.31
TPSA
16.13
LogP / Solubility
WLOGP
3.07
MLOGP
2.71
XLogP3
2.6
Consensus LogP
2.79
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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