CAS RN: 1883737-63-0
FHZ
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.20250827 | 5mg / 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1883737-63-0
- Purity/Analytical Methods: >99.0%
1883737-63-0 / 2-amino-3'-hydroxy-6'-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]spiro[isoindole-3,9'-xanthene]-1-one
Basic Information
CAS
1883737-63-0
Multi CAS
No
Molecular Formula
C26H26N2O7
Molecular Weight
478.500000
Exact Mass
478.174001
SMILES
C1=CC=C2C(=C1)C(=O)N(C23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)OCCOCCOCCO)N
InChI
InChI=1S/C26H26N2O7/c27-28-25(31)19-3-1-2-4-20(19)26(28)21-7-5-17(30)15-23(21)35-24-16-18(6-8-22(24)26)34-14-13-33-12-11-32-10-9-29/h1-8,15-16,29-30H,9-14,27H2
InChIKey
ULAZAGNYQREIQR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.27
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
3
Molar refractivity
125.52
TPSA
123.71
LogP / Solubility
WLOGP
2.52
MLOGP
2.25
XLogP3
1.6
Consensus LogP
2.12
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.94
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.85
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
5
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