CAS RN: 81403-80-7

Alfuzosin

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6 package records5 with current stock3 grade groups
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  • Product code: starshine_CAS81403-80-7
  • Purity/Analytical Methods: >99.0%
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81403-80-7 / N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide

Standard CAS: 81403-80-7 Multi CAS: Yes

Basic Information

CAS
81403-80-7
Multi CAS
Yes
Molecular Formula
C19H27N5O4
Molecular Weight
389.400000
Exact Mass
389.206304
InChI
InChI=1S/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23)
InChIKey
WNMJYKCGWZFFKR-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
10
Fraction Csp3
0.53
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
2
Molar refractivity
106.93
TPSA
111.83

LogP / Solubility

WLOGP
1.35
MLOGP
1.21
XLogP3
1.7
Consensus LogP
1.42
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.14

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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