CAS RN: 1859-37-6
CHEMBRDG-BB 4009817
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250527 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1859-37-6
- Purity/Analytical Methods: >99.0%
1859-37-6 / (1-methyl-4-phenylpiperidin-4-yl)methanamine
Basic Information
CAS
1859-37-6
Multi CAS
No
Molecular Formula
C13H20N2
Molecular Weight
204.310000
Exact Mass
204.162649
SMILES
CN1CCC(CC1)(CN)C2=CC=CC=C2
InChI
InChI=1S/C13H20N2/c1-15-9-7-13(11-14,8-10-15)12-5-3-2-4-6-12/h2-6H,7-11,14H2,1H3
InChIKey
WHJANSWOSODZBT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.91
TPSA
29.26
LogP / Solubility
WLOGP
1.61
MLOGP
1.42
XLogP3
1.6
Consensus LogP
1.54
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501
Customers Also Viewed
-
-
Heat Shock Protein Inhibitor II
- CAS RN: 1859-42-3
- Product Code: starshine_CAS1859-42-3
- Purity/Analytical method: >99.0%
-
-
-
ECHINULIN
- CAS RN: 1859-87-6
- Product Code: starshine_CAS1859-87-6
- Purity/Analytical method: >99.0%
-
![CAS 1859-75-2 Ethanone, 1-[2-(methylamino)phenyl]- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1859-75-2.gif)
