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CAS 14556-46-8 Bupranolol molecular structure lightbox
CAS RN: 14556-46-8

Bupranolol

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6 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251031 100mg In stock Shanghai Inquiry
Batchno.20251203 100mg / 500mg Out of stock 5-7 business days Inquiry
Batchno.20250715 250mg Out of stock Inquiry
Batchno.20250422 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260507 100mg In stock Inquiry
Batchno.20250418 500mg In stock Inquiry
  • Product code: starshine_CAS14556-46-8
  • Purity/Analytical Methods: >99.0%
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14556-46-8 / 1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol

Standard CAS: 14556-46-8 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
14556-46-8
Multi CAS
No
Molecular Formula
C14H22ClNO2
Molecular Weight
271.780000
Exact Mass
271.133907
SMILES
CC1=CC(=C(C=C1)Cl)OCC(CNC(C)(C)C)O
InChI
InChI=1S/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3
InChIKey
HQIRNZOQPUAHHV-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
75.45
TPSA
41.49

LogP / Solubility

WLOGP
2.78
MLOGP
2.45
XLogP3
2.8
Consensus LogP
2.68
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.33
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)
-2.41

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
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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