CAS RN: 1391509-55-9
(S)-2-(3-bromophenyl)piperidine 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.20260504 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1391509-55-9
- Purity/Analytical Methods: >99.0%
1391509-55-9 / (2S)-2-(3-bromophenyl)piperidine;hydrochloride
Basic Information
CAS
1391509-55-9
Multi CAS
No
Molecular Formula
C11H15BrClN
Molecular Weight
276.600000
Exact Mass
275.007640
SMILES
C1CCN[C@@H](C1)C2=CC(=CC=C2)Br.Cl
InChI
InChI=1S/C11H14BrN.ClH/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;/h3-5,8,11,13H,1-2,6-7H2;1H/t11-;/m0./s1
InChIKey
WJPCCPSHEGNAIM-MERQFXBCSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
65.98
TPSA
12.03
LogP / Solubility
WLOGP
3.69
MLOGP
3.25
XLogP3
3.69
Consensus LogP
3.54
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
(S)-3-(p-Tolyl)morpholine hydrochloride
- CAS RN: 1391510-98-7
- Product Code: starshine_CAS1391510-98-7
- Purity/Analytical method: >99.0%
-
(3S)-3-(4-METHOXYPHENYL)MORPHOLINE HYDROCHLORIDE
- CAS RN: 1391511-24-2
- Product Code: starshine_CAS1391511-24-2
- Purity/Analytical method: >99.0%
-
(2R)-2-(2-BROMO-5-FLUOROPHENYL)PYRROLIDINE HCl
- CAS RN: 1391514-45-6
- Product Code: starshine_CAS1391514-45-6
- Purity/Analytical method: >99.0%
-
(2S)-2-AMINO-2-[4-(METHYLETHYL)PHENYL]ETHAN-1-OL HYDROCHLORIDE
- CAS RN: 1391515-12-0
- Product Code: starshine_CAS1391515-12-0
- Purity/Analytical method: >99.0%
-
(R)-2-aMino-2-(3-(trifluoroMethyl)phenyl)ethanol hydrochloride
- CAS RN: 1391515-37-9
- Product Code: starshine_CAS1391515-37-9
- Purity/Analytical method: >99.0%
-
(R)-Methyl 3-(1-amino-2-hydroxyethyl)benzoate hydrochloride
- CAS RN: 1391515-70-0
- Product Code: starshine_CAS1391515-70-0
- Purity/Analytical method: >99.0%
![CAS 1391515-12-0 (2S)-2-AMINO-2-[4-(METHYLETHYL)PHENYL]ETHAN-1-OL HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1391515-12-0.gif)
