[email protected]
CAS 1159825-25-8 4-(3-BROMO-PHENYL)-PIPERIDINE molecular structure lightbox
CAS RN: 1159825-25-8

4-(3-BROMO-PHENYL)-PIPERIDINE

  • Product code: SSC-015911
GET A QUOTE
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: 5g, 10g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1159825-25-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry
10g ＞97% 0 Out of Stock Shanghai Inquiry

1159825-25-8 / 4-(3-bromophenyl)piperidine;hydrochloride

4-(3-bromophenyl)piperidine | RefChem:287569 | 4-(3-Bromo-phenyl)-piperidine

Standard CAS: 1159825-25-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1159825-25-8
Multi CAS
Yes
Molecular Formula
C11H15BrClN
Molecular Weight
276.600000
Exact Mass
275.007640
SMILES
C1CNCCC1C2=CC(=CC=C2)Br.Cl
InChI
InChI=1S/C11H14BrN.ClH/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9;/h1-3,8-9,13H,4-7H2;1H
InChIKey
ASSSYFRUQWDFMT-UHFFFAOYSA-N
Synonyms
4-(3-bromophenyl)piperidine RefChem:287569 4-(3-Bromo-phenyl)-piperidine 4-(3-BROMOPHENYL) PIPERIDINE MFCD03839898

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
66.23
TPSA
12.03

LogP / Solubility

WLOGP
3.34
MLOGP
2.95
XLogP3
3.34
Consensus LogP
3.21
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
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)
-2.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us