[email protected]
CAS 1028416-48-9 S-3,3′-di-9-phenanthrenyl-5,5′,6,6′,7,7′,8,8′-octahydro-1,1′-Binaphthalene]-2,2′-diol molecular structure lightbox
CAS RN: 1028416-48-9

S-3,3′-di-9-phenanthrenyl-5,5′,6,6′,7,7′,8,8′-octahydro-1,1′-Binaphthalene]-2,2′-diol

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250925 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251205 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250606 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250526 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-004191
GET A QUOTE
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
Request Bulk Quote

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 1028416-48-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1028416-48-9 / 1-(2-hydroxy-3-phenanthren-9-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenanthren-9-yl-5,6,7,8-tetrahydronaphthalen-2-ol

(S)-3,3'-Di-9-anthracenyl-5,5',6,6',7,7',8,8'-octahydro-[1,1'-binaphthalene]-2,2'-diol | (R)-3,3'-Di-9-anthracenyl-5,5',6,6',7,7',8,8'-octahydro-[1,1'-binaphthalene]-2,2'-diol | (1R)-3,3'-Di-9-anthracenyl-5,5',6,6',7,7',8,8'-octahydro-[1,1'-binaphthalene]-2,2'-diol

Standard CAS: 1028416-48-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1028416-48-9
Multi CAS
Yes
Molecular Formula
C48H38O2
Molecular Weight
646.800000
Exact Mass
646.287180
SMILES
C1CCC2=C(C(=C(C=C2C1)C3=CC4=CC=CC=C4C5=CC=CC=C53)O)C6=C7CCCCC7=CC(=C6O)C8=CC9=CC=CC=C9C1=CC=CC=C18
InChI
InChI=1S/C48H38O2/c49-47-43(41-25-29-13-1-5-17-33(29)37-21-9-11-23-39(37)41)27-31-15-3-7-19-35(31)45(47)46-36-20-8-4-16-32(36)28-44(48(46)50)42-26-30-14-2-6-18-34(30)38-22-10-12-24-40(38)42/h1-2,5-6,9-14,17-18,21-28,49-50H,3-4,7-8,15-16,19-20H2
InChIKey
RBFFCMYYMCPORO-UHFFFAOYSA-N
Synonyms
(S)-3,3'-Di-9-anthracenyl-5,5',6,6',7,7',8,8'-octahydro-[1,1'-binaphthalene]-2,2'-diol (R)-3,3'-Di-9-anthracenyl-5,5',6,6',7,7',8,8'-octahydro-[1,1'-binaphthalene]-2,2'-diol (1R)-3,3'-Di-9-anthracenyl-5,5',6,6',7,7',8,8'-octahydro-[1,1'-binaphthalene]-2,2'-diol [1,1'-Binaphthalene]-2,2'-diol, 3,3'-di-9-anthracenyl-5,5',6,6',7,7',8,8'-octahydro-, (1R)- MFCD30541636

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
40
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
209.39
TPSA
40.46

LogP / Solubility

WLOGP
12.47
MLOGP
11.03
XLogP3
13.8
Consensus LogP
12.43
Log S (ESOL)
-12.1
Class (ESOL)
Insoluble
Log S (Ali)
-13.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.57
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.19

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

Customers Also Viewed

Get In Touch

Contact Us