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CAS 6820-54-8 PHENOLPHTHALEIN GLUCURONIC ACID SODIUM SALT molecular structure lightbox
CAS RN: 6820-54-8

PHENOLPHTHALEIN GLUCURONIC ACID SODIUM SALT

Product Availability

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251212 50mg Out of stock Inquiry
Batchno.20260427 5mg Out of stock Inquiry
  • Product code: SSC-177920
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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 6820-54-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

6820-54-8 / sodium 3,4,5-trihydroxy-6-[4-[1-(4-hydroxyphenyl)-3-oxo-2-benzofuran-1-yl]phenoxy]oxane-2-carboxylate

Standard CAS: 6820-54-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6820-54-8
Multi CAS
Yes
Molecular Formula
C26H21NAO10
Molecular Weight
516.400000
Exact Mass
516.103241
InChI
InChI=1S/C26H22O10.Na/c27-15-9-5-13(6-10-15)26(18-4-2-1-3-17(18)24(33)36-26)14-7-11-16(12-8-14)34-25-21(30)19(28)20(29)22(35-25)23(31)32;/h1-12,19-22,25,27-30H,(H,31,32);/q;+1/p-1
InChIKey
GBLJULUMBNYFAK-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
4
Molar refractivity
118.6
TPSA
165.81

LogP / Solubility

WLOGP
-3.21
MLOGP
-2.78
XLogP3
-3.21
Consensus LogP
-3.07
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.96
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8

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