CAS RN: 1227301-51-0
Philanthotoxin 74
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250208 | 1mg / 5mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1227301-51-0
- Purity/Analytical Methods: >99.0%
1227301-51-0 / N-[(2S)-1-[7-(4-aminobutylamino)heptylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide;dihydrochloride
Basic Information
CAS
1227301-51-0
Multi CAS
No
Molecular Formula
C24H44Cl2N4O3
Molecular Weight
507.500000
Exact Mass
506.279047
SMILES
CCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCCCCCCCNCCCCN.Cl.Cl
InChI
InChI=1S/C24H42N4O3.2ClH/c1-2-10-23(30)28-22(19-20-11-13-21(29)14-12-20)24(31)27-18-8-5-3-4-7-16-26-17-9-6-15-25;;/h11-14,22,26,29H,2-10,15-19,25H2,1H3,(H,27,31)(H,28,30);2*1H/t22-;;/m0../s1
InChIKey
HWTJQQMIKVJWLH-IKXQUJFKSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
18
H-bond acceptors
5
H-bond donors
5
Molar refractivity
140.4
TPSA
116.48
LogP / Solubility
WLOGP
3.46
MLOGP
3.08
XLogP3
3.46
Consensus LogP
3.33
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.99
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 1227374-64-2 N-[(11bS)-2,6-di-9-anthracenyl-8,9,10,11,12,13,14,15-octahydro-8-oxidodinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoro-Methanesulfonamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1227374-64-2.gif)
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