CAS RN: 56144-17-3
2-Methyl-3-amyl-6-methoxyprodigiosene
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.20260523 | 100μg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS56144-17-3
- Purity/Analytical Methods: >99.0%
56144-17-3 / (2E)-3-methoxy-2-[(5-methyl-4-pentyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole;hydrochloride
Basic Information
CAS
56144-17-3
Multi CAS
Yes
Molecular Formula
C20H26CLN3O
Molecular Weight
359.900000
Exact Mass
359.176440
InChI
InChI=1S/C20H25N3O.ClH/c1-4-5-6-8-15-11-16(22-14(15)2)12-19-20(24-3)13-18(23-19)17-9-7-10-21-17;/h7,9-13,21-22H,4-6,8H2,1-3H3;1H/b19-12-;
InChIKey
UQRGJSTXVCWXNU-JHMJKTBASA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
10
Fraction Csp3
0.35
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
2
Molar refractivity
106.41
TPSA
53.17
LogP / Solubility
WLOGP
5.18
MLOGP
4.58
XLogP3
5.18
Consensus LogP
4.98
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.14
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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