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CAS 215868-33-0 Pacific Blue SucciniMidyl Ester molecular structure lightbox
CAS RN: 215868-33-0

Pacific Blue SucciniMidyl Ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250101 5mg Out of stock 15 business days Inquiry
  • Product code: SSC-103465
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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: 0.025g
  • 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 215868-33-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.025g ≥95% 0 Out of Stock Hong Kong Inquiry

215868-33-0 / (2,5-dioxopyrrolidin-1-yl) 6,8-difluoro-7-hydroxy-2-oxochromene-3-carboxylate

Standard CAS: 215868-33-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
215868-33-0
Multi CAS
No
Molecular Formula
C14H7F2NO7
Molecular Weight
339.200000
Exact Mass
339.019058
SMILES
C1CC(=O)N(C1=O)OC(=O)C2=CC3=CC(=C(C(=C3OC2=O)F)O)F
InChI
InChI=1S/C14H7F2NO7/c15-7-4-5-3-6(13(21)23-12(5)10(16)11(7)20)14(22)24-17-8(18)1-2-9(17)19/h3-4,20H,1-2H2
InChIKey
NZYXABPVYJRICY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
10
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
1
Molar refractivity
70.57
TPSA
114.12

LogP / Solubility

WLOGP
1
MLOGP
0.89
XLogP3
0.9
Consensus LogP
0.93
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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