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CAS 74191-85-8 Doxazosin molecular structure lightbox
CAS RN: 74191-85-8

Doxazosin

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250909 100mg In stock Shanghai Inquiry
Batchno.20251204 1g In stock Shanghai Inquiry
Batchno.20250223 250mg In stock Shanghai Inquiry
Batchno.20250804 5g In stock Shanghai Inquiry
  • Product code: LIND875803
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74191-85-8 / [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone

Standard CAS: 74191-85-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
74191-85-8
Multi CAS
Yes
Molecular Formula
C23H25N5O5
Molecular Weight
451.500000
Exact Mass
451.185569
InChI
InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)
InChIKey
RUZYUOTYCVRMRZ-UHFFFAOYSA-N

Physical Properties

Melting Point
275-277 289 - 290 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
16
Fraction Csp3
0.35
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
1
Molar refractivity
122.2
TPSA
112.27

LogP / Solubility

WLOGP
1.72
MLOGP
1.54
XLogP3
2.5
Consensus LogP
1.92
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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