CAS RN: 63-92-3
Phenoxybenzamine Hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250124 | 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | 8-10 business days | Inquiry |
- Product code: ICTD0158
- Purity/Analytical Methods: >98.0%(T)
63-92-3 / N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine;hydrochloride
Basic Information
CAS
63-92-3
Multi CAS
Yes
Molecular Formula
C18H23CL2NO
Molecular Weight
340.300000
Exact Mass
339.115670
InChI
InChI=1S/C18H22ClNO.ClH/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17;/h2-11,16H,12-15H2,1H3;1H
InChIKey
VBCPVIWPDJVHAN-UHFFFAOYSA-N
Physical Properties
Melting Point
280 to 284 °F (NTP, 1992)
Physical Description
Phenoxybenzamine hydrochloride is a white crystalline powder. Melting point 137.5-140 °C. Used as an antihypertensive drug.
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
1
Molar refractivity
96.22
TPSA
12.47
LogP / Solubility
WLOGP
4.62
MLOGP
4.08
XLogP3
4.62
Consensus LogP
4.44
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.66
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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