CAS RN: 1094283-04-1
4-(4-Bromophenyl)tetrahydro-2H-pyran-4-amine
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.20260418 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1094283-04-1
- Purity/Analytical Methods: >99.0%
1094283-04-1 / 4-(4-bromophenyl)oxan-4-amine
4-(4-bromophenyl)oxan-4-amine | RefChem:513962 | 843-927-3
Basic Information
CAS
1094283-04-1
Multi CAS
No
Molecular Formula
C11H14BrNO
Molecular Weight
256.140000
Exact Mass
255.025880
SMILES
C1COCCC1(C2=CC=C(C=C2)Br)N
InChI
InChI=1S/C11H14BrNO/c12-10-3-1-9(2-4-10)11(13)5-7-14-8-6-11/h1-4H,5-8,13H2
InChIKey
SNAASDIFHZQJTQ-UHFFFAOYSA-N
Synonyms
4-(4-bromophenyl)oxan-4-amine
RefChem:513962
843-927-3
4-(4-BROMOPHENYL)TETRAHYDRO-2H-PYRAN-4-AMINE
MFCD11186108
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
1
Molar refractivity
60.06
TPSA
35.25
LogP / Solubility
WLOGP
2.41
MLOGP
2.13
XLogP3
1.7
Consensus LogP
2.08
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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)
-2.57
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
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![CAS 1094292-72-4 6-CHLORO-3-CYCLOBUTYL-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1094292-72-4.gif)
