CAS RN: 98902-29-5

2,3,4,5-Tetradehydro Alfuzosin Hydrochloride

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Batchno.20260531 25mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS98902-29-5
  • Purity/Analytical Methods: >99.0%
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98902-29-5 / N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]furan-2-carboxamide;hydrochloride

Standard CAS: 98902-29-5 Multi CAS: No

Basic Information

CAS
98902-29-5
Multi CAS
No
Molecular Formula
C19H24CLN5O4
Molecular Weight
421.900000
Exact Mass
421.151682
InChI
InChI=1S/C19H23N5O4.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;/h4,6,9-11H,5,7-8H2,1-3H3,(H,21,25)(H2,20,22,23);1H
InChIKey
LYASKMMJFCEPIG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
15
Fraction Csp3
0.32
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
2
Molar refractivity
113.23
TPSA
115.74

LogP / Solubility

WLOGP
2.5
MLOGP
2.23
XLogP3
2.5
Consensus LogP
2.41
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.44
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.52

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
2.5

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