CAS RN: 21233-09-0
3-O-METHYLFLUORESCEIN PHOSPHATE CYCLOHEXYLAMMONIUM SALT
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.20260508 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS21233-09-0
- Purity/Analytical Methods: >99.0%
21233-09-0 / cyclohexanamine;(6'-methoxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) dihydrogen phosphate
Basic Information
CAS
21233-09-0
Multi CAS
No
Molecular Formula
C27H28NO8P
Molecular Weight
525.500000
Exact Mass
525.155254
SMILES
COC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OP(=O)(O)O)C5=CC=CC=C5C(=O)O3.C1CCC(CC1)N
InChI
InChI=1S/C21H15O8P.C6H13N/c1-26-12-6-8-16-18(10-12)27-19-11-13(29-30(23,24)25)7-9-17(19)21(16)15-5-3-2-4-14(15)20(22)28-21;7-6-4-2-1-3-5-6/h2-11H,1H3,(H2,23,24,25);6H,1-5,7H2
InChIKey
SJPHZMRXIHOGOW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
18
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
3
Molar refractivity
134.98
TPSA
137.54
LogP / Solubility
WLOGP
5.01
MLOGP
4.45
XLogP3
5.01
Consensus LogP
4.82
Log S (ESOL)
-6.42
Class (ESOL)
Insoluble
Log S (Ali)
-7.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.6
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
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- CAS RN: 212332-35-9
- Product Code: starshine_CAS212332-35-9
- Purity/Analytical method: >99.0%
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