CAS RN: 1170856-93-5
Calcein tetraethyl ester
Product Availability
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7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251223 | 5mg / 25mg | Out of stock | 15 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250708 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260412 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20251118 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250105 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260621 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250502 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1170856-93-5
- Purity/Analytical Methods: >99.0%
1170856-93-5 / ethyl 2-[[5'-[[bis(2-ethoxy-2-oxoethyl)amino]methyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-yl]methyl-(2-ethoxy-2-oxoethyl)amino]acetate
Calcein tetraethyl ester | Calcein (tetraethyl ester) | tetraethyl 2,2',2'',2'''-(((3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-4',5'-diyl)bis(methylene))bis(azanetriyl))tetraacetate
Basic Information
CAS
1170856-93-5
Multi CAS
No
Molecular Formula
C38H42N2O13
Molecular Weight
734.700000
Exact Mass
734.268689
SMILES
CCOC(=O)CN(CC1=C(C=CC2=C1OC3=C(C24C5=CC=CC=C5C(=O)O4)C=CC(=C3CN(CC(=O)OCC)CC(=O)OCC)O)O)CC(=O)OCC
InChI
InChI=1S/C38H42N2O13/c1-5-48-31(43)19-39(20-32(44)49-6-2)17-24-29(41)15-13-27-35(24)52-36-25(18-40(21-33(45)50-7-3)22-34(46)51-8-4)30(42)16-14-28(36)38(27)26-12-10-9-11-23(26)37(47)53-38/h9-16,41-42H,5-8,17-22H2,1-4H3
InChIKey
AWKMLDYACNCHOZ-UHFFFAOYSA-N
Synonyms
Calcein tetraethyl ester
Calcein (tetraethyl ester)
tetraethyl 2,2',2'',2'''-(((3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-4',5'-diyl)bis(methylene))bis(azanetriyl))tetraacetate
Fluorexon tetraethyl ester
MFCD14586332
Computed Properties
Structural Parameters
Heavy atom count
53
Aromatic heavy atom count
18
Fraction Csp3
0.39
Rotatable bonds
16
H-bond acceptors
15
H-bond donors
2
Molar refractivity
185.11
TPSA
187.67
LogP / Solubility
WLOGP
3.52
MLOGP
3.16
XLogP3
4.2
Consensus LogP
3.63
Log S (ESOL)
-5.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.28
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.7
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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