CAS RN: 81403-68-1
Alfuzosin Hydrochloride
Product Availability
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6 package records6 with current stock1 grade group
- Product code: ICTA2591
- Purity/Analytical Methods: >98.0%(HPLC)
81403-68-1 / N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;hydrochloride
Basic Information
CAS
81403-68-1
Multi CAS
Yes
Molecular Formula
C19H28CLN5O4
Molecular Weight
425.900000
Exact Mass
425.182982
InChI
InChI=1S/C19H27N5O4.ClH/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);1H
InChIKey
YTNKWDJILNVLGX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
10
Fraction Csp3
0.53
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
2
Molar refractivity
114.17
TPSA
111.83
LogP / Solubility
WLOGP
1.77
MLOGP
1.59
XLogP3
1.77
Consensus LogP
1.71
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
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)
-4.06
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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