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 |
252563-97-6 / 4-(naphthalen-2-ylmethyl)piperidine
Basic Information
CAS
252563-97-6
Multi CAS
No
Molecular Formula
C16H19N
Molecular Weight
225.330000
Exact Mass
225.151750
SMILES
C1CNCCC1CC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C16H19N/c1-2-4-16-12-14(5-6-15(16)3-1)11-13-7-9-17-10-8-13/h1-6,12-13,17H,7-11H2
InChIKey
BNMDUCFDNPEQLU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
73.25
TPSA
12.03
LogP / Solubility
WLOGP
3.38
MLOGP
2.98
XLogP3
4.2
Consensus LogP
3.52
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
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)
-1.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
Tert-Butyl Trans-3-BroMo-4-Hydroxypyrrolidine-1-Carboxylate
- CAS RN: 252574-02-0
- Product Code: SSC-121054
-
(3S,4S)-N-Boc-3-(benzylamino)-4-hydroxypyrrolidine
- CAS RN: 252574-03-1
- Product Code: SSC-121055
-
4-Chloro-6-(2-Fluoropropan-2-Yl)-1,3,5-Triazin-2-Amine
- CAS RN: 252577-14-3
- Product Code: starshine_CAS252577-14-3
- Purity/Analytical method: >99.0%
-
-
-
(5′-Methyl-3,4,5,6-tetrahydro-2H-[1,2′]bipyridinyl-4-yl)-carbaMic acid tert-butyl ester, 98+% C16H25N3O2, MW: 291.39
- CAS RN: 252578-18-0
- Product Code: starshine_CAS252578-18-0
- Purity/Analytical method: >99.0%
![CAS 252578-18-0 (5′-Methyl-3,4,5,6-tetrahydro-2H-[1,2′]bipyridinyl-4-yl)-carbaMic acid tert-butyl ester, 98+% C16H25N3O2, MW: 291.39 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/252578-18-0.gif)