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CAS 64887-14-5 Urapidil hydrochloride molecular structure lightbox
CAS RN: 64887-14-5

Urapidil hydrochloride

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250118 5mg / 50mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS64887-14-5
  • Purity/Analytical Methods: >99.0%
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64887-14-5 / 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride

Standard CAS: 64887-14-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
64887-14-5
Multi CAS
Yes
Molecular Formula
C20H30CLN5O3
Molecular Weight
423.900000
Exact Mass
423.203718
InChI
InChI=1S/C20H29N5O3.ClH/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3;/h4-5,7-8,15,21H,6,9-14H2,1-3H3;1H
InChIKey
KTMLZVUAXJERAT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
1
Molar refractivity
118.93
TPSA
71.74

LogP / Solubility

WLOGP
1.14
MLOGP
1.03
XLogP3
1.14
Consensus LogP
1.1
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.5

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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