CAS RN: 1131220-34-2
(S)-2-(4-bromophenyl)morpholine hydrochloride
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-013309
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1131220-34-2 / (2S)-2-(4-bromophenyl)morpholine;hydrochloride
(2S)-2-(4-bromophenyl)morpholine hydrochloride | RefChem:398126 | 959-479-8
Basic Information
CAS
1131220-34-2
Multi CAS
No
Molecular Formula
C10H13BrClNO
Molecular Weight
278.570000
Exact Mass
276.986900
SMILES
C1CO[C@H](CN1)C2=CC=C(C=C2)Br.Cl
InChI
InChI=1S/C10H12BrNO.ClH/c11-9-3-1-8(2-4-9)10-7-12-5-6-13-10;/h1-4,10,12H,5-7H2;1H/t10-;/m1./s1
InChIKey
WBFDCHKYIJEWJO-HNCPQSOCSA-N
Synonyms
(2S)-2-(4-bromophenyl)morpholine hydrochloride
RefChem:398126
959-479-8
(2S)-2-(4-bromophenyl)morpholine;hydrochloride
MFCD32864360
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.95
TPSA
21.26
LogP / Solubility
WLOGP
2.53
MLOGP
2.24
XLogP3
2.53
Consensus LogP
2.43
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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