CAS RN: 73210-73-8
Xamoterol hemifumarate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250307 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS73210-73-8
- Purity/Analytical Methods: >99.0%
73210-73-8 / but-2-enedioic acid;bis(N-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide)
Basic Information
CAS
73210-73-8
Multi CAS
Yes
Molecular Formula
C36H54N6O14
Molecular Weight
794.800000
Exact Mass
794.369800
InChI
InChI=1S/2C16H25N3O5.C4H4O4/c2*20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19;5-3(6)1-2-4(7)8/h2*1-4,14,17,20-21H,5-12H2,(H,18,22);1-2H,(H,5,6)(H,7,8)
InChIKey
QEDVGROSOZBGOZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
56
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
18
H-bond acceptors
14
H-bond donors
10
Molar refractivity
200.95
TPSA
281.18
LogP / Solubility
WLOGP
-0.76
MLOGP
-0.6
XLogP3
-0.76
Consensus LogP
-0.71
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.35
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.11
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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