CAS RN: 1839524-44-5
Endosidin 2
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.20250131 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1839524-44-5
- Purity/Analytical Methods: >99.0%
1839524-44-5 / 3-fluoro-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]benzamide
Basic Information
CAS
1839524-44-5
Multi CAS
No
Molecular Formula
C15H12FIN2O3
Molecular Weight
414.170000
Exact Mass
413.987670
SMILES
COC1=C(C(=CC(=C1)/C=N/NC(=O)C2=CC(=CC=C2)F)I)O
InChI
InChI=1S/C15H12FIN2O3/c1-22-13-6-9(5-12(17)14(13)20)8-18-19-15(21)10-3-2-4-11(16)7-10/h2-8,20H,1H3,(H,19,21)/b18-8+
InChIKey
UIADDCURKKFTFW-QGMBQPNBSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
88.84
TPSA
70.92
LogP / Solubility
WLOGP
2.91
MLOGP
2.59
XLogP3
3.2
Consensus LogP
2.9
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.25
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
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