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CAS 197850-75-2 5,6-CARBOXYFLUORESCEIN DIPIVALATE SUCCINIMIDE ESTER molecular structure lightbox
CAS RN: 197850-75-2

5,6-CARBOXYFLUORESCEIN DIPIVALATE SUCCINIMIDE ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250526 1g Out of stock 15 business days Inquiry
  • Product code: SSC-093262
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 197850-75-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

197850-75-2 / (2,5-dioxopyrrolidin-1-yl) 3',6'-bis(2,2-dimethylpropanoyloxy)-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylate

Standard CAS: 197850-75-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
197850-75-2
Multi CAS
No
Molecular Formula
C35H31NO11
Molecular Weight
641.600000
Exact Mass
641.189711
SMILES
CC(C)(C)C(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C(C)(C)C)C5=C(C=CC(=C5)C(=O)ON6C(=O)CCC6=O)C(=O)O3
InChI
InChI=1S/C35H31NO11/c1-33(2,3)31(41)43-19-8-11-22-25(16-19)45-26-17-20(44-32(42)34(4,5)6)9-12-23(26)35(22)24-15-18(7-10-21(24)30(40)46-35)29(39)47-36-27(37)13-14-28(36)38/h7-12,15-17H,13-14H2,1-6H3
InChIKey
WEULGCXFMIDYQJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
18
Fraction Csp3
0.31
Rotatable bonds
4
H-bond acceptors
11
Molar refractivity
161.38
TPSA
151.81

LogP / Solubility

WLOGP
5.38
MLOGP
4.79
XLogP3
5.4
Consensus LogP
5.19
Log S (ESOL)
-7.23
Class (ESOL)
Insoluble
Log S (Ali)
-8.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.77
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)
-2.82

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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