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CAS 4222-20-2 3,3-Diphenyl-3H-naphtho[2,1-b]pyran molecular structure lightbox
CAS RN: 4222-20-2

3,3-Diphenyl-3H-naphtho[2,1-b]pyran

  • Product code: SSC-150552
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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: 5g
  • Available purity: ＞97%
  • 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 4222-20-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

4222-20-2 / 3,3-diphenylbenzo[f]chromene

Standard CAS: 4222-20-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4222-20-2
Multi CAS
No
Molecular Formula
C25H18O
Molecular Weight
334.400000
Exact Mass
334.135765
InChI
InChI=1S/C25H18O/c1-3-10-20(11-4-1)25(21-12-5-2-6-13-21)18-17-23-22-14-8-7-9-19(22)15-16-24(23)26-25/h1-18H
InChIKey
UBNNJVRNPJVYBU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
22
Fraction Csp3
0.04
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
107.27
TPSA
9.23

LogP / Solubility

WLOGP
6.19
MLOGP
5.46
XLogP3
6.7
Consensus LogP
6.12
Log S (ESOL)
-6.31
Class (ESOL)
Insoluble
Log S (Ali)
-6.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.21
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
No
Log Kp (skin permeation)
-0.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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