CAS RN: 1616370-88-7
6-Bromo-4,4-dimethyl-1,2,3,4-tetrahydroquinoline hydrochloride
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.20260228 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1616370-88-7
- Purity/Analytical Methods: >99.0%
1616370-88-7 / 2-piperidin-4-ylphenol;hydrochloride
Basic Information
CAS
1616370-88-7
Multi CAS
No
Molecular Formula
C11H16ClNO
Molecular Weight
213.700000
Exact Mass
213.092042
SMILES
C1CNCCC1C2=CC=CC=C2O.Cl
InChI
InChI=1S/C11H15NO.ClH/c13-11-4-2-1-3-10(11)9-5-7-12-8-6-9;/h1-4,9,12-13H,5-8H2;1H
InChIKey
FMENPZXRSKCMHC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.2
TPSA
32.26
LogP / Solubility
WLOGP
2.28
MLOGP
2.01
XLogP3
2.28
Consensus LogP
2.19
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly 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)
-2.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
tert-butyl (2R,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate
- CAS RN: 1616373-52-4
- Product Code: SSC-069248
-
1H-Pyrazole-3-carboxamide, 4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-
- CAS RN: 1616385-51-3
- Product Code: starshine_CAS1616385-51-3
- Purity/Analytical method: >99.0%
-
Cyclopropyl(4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydropyridin-1(2H)-yl)Methanone
- CAS RN: 1616388-38-5
- Product Code: SSC-069251
-
-
-
![CAS 1616385-51-3 1H-Pyrazole-3-carboxamide, 4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1616385-51-3.gif)
