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CAS 596-01-0 α-Naphtholphthalein molecular structure lightbox
CAS RN: 596-01-0

α-Naphtholphthalein

Product Availability

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6 package records4 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260629 100ml Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260701 100ml Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251218 100g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20251107 1g In stock Shanghai Inquiry
Batchno.20260421 25g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260319 5g In stock Shanghai, Tianjin, Chengdu Inquiry
  • Product code: SSC-168097
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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: 25g
  • 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 596-01-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

596-01-0 / 3,3-bis(4-hydroxynaphthalen-1-yl)-2-benzofuran-1-one

Standard CAS: 596-01-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
596-01-0
Multi CAS
Yes
Molecular Formula
C28H18O4
Molecular Weight
418.400000
Exact Mass
418.120509
InChI
InChI=1S/C28H18O4/c29-25-15-13-23(17-7-1-3-9-19(17)25)28(22-12-6-5-11-21(22)27(31)32-28)24-14-16-26(30)20-10-4-2-8-18(20)24/h1-16,29-30H
InChIKey
HQHBAGKIEAOSNM-UHFFFAOYSA-N

Physical Properties

Physical Description
Colorless solid when pure; Usually greyish-red; [Merck Index] Grey to brown solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
26
Fraction Csp3
0.04
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
122.97
TPSA
66.76

LogP / Solubility

WLOGP
5.87
MLOGP
5.19
XLogP3
6.3
Consensus LogP
5.79
Log S (ESOL)
-6.6
Class (ESOL)
Insoluble
Log S (Ali)
-7.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.49
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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