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CAS 39215-21-9 2,2′,3,3′-Tetrahydroxy-1,1′-binaphthyl molecular structure lightbox
CAS RN: 39215-21-9

2,2′,3,3′-Tetrahydroxy-1,1′-binaphthyl

  • Product code: SSC-146884
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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: ≥98%
  • 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 39215-21-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry

39215-21-9 / 1-(2,3-dihydroxynaphthalen-1-yl)naphthalene-2,3-diol

Standard CAS: 39215-21-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
39215-21-9
Multi CAS
No
Molecular Formula
C20H14O4
Molecular Weight
318.300000
Exact Mass
318.089209
InChI
InChI=1S/C20H14O4/c21-15-9-11-5-1-3-7-13(11)17(19(15)23)18-14-8-4-2-6-12(14)10-16(22)20(18)24/h1-10,21-24H
InChIKey
OOSHJGKXQBJASF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
20
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
4
Molar refractivity
93.55
TPSA
80.92

LogP / Solubility

WLOGP
4.48
MLOGP
3.96
XLogP3
4.6
Consensus LogP
4.35
Log S (ESOL)
-5.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.57
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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