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CAS 364796-54-3 Phosphine, tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene-5,11-diylbis[bis(4-methoxyphenyl)-, stereoisomer (9CI) molecular structure lightbox
CAS RN: 364796-54-3

Phosphine, tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene-5,11-diylbis[bis(4-methoxyphenyl)-, stereoisomer (9CI)

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251005 100mg In stock Shanghai Inquiry
Batchno.20250813 1g In stock Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260208 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250126 50mg In stock Shanghai Inquiry
Batchno.20250905 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS364796-54-3
  • Purity/Analytical Methods: >99.0%
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364796-54-3 / [11-bis(4-methoxyphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(4-methoxyphenyl)phosphane

Standard CAS: 364796-54-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
364796-54-3
Multi CAS
No
Molecular Formula
C44H42O4P2
Molecular Weight
696.700000
Exact Mass
696.255834
InChI
InChI=1S/C44H42O4P2/c1-45-35-13-21-39(22-14-35)49(40-23-15-36(46-2)16-24-40)43-29-31-5-9-33(43)11-7-32-6-10-34(12-8-31)44(30-32)50(41-25-17-37(47-3)18-26-41)42-27-19-38(48-4)20-28-42/h5-6,9-10,13-30H,7-8,11-12H2,1-4H3
InChIKey
JALREJYREHTOKW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
36
Fraction Csp3
0.18
Rotatable bonds
10
H-bond acceptors
4
Molar refractivity
211.32
TPSA
36.92

LogP / Solubility

WLOGP
7.12
MLOGP
6.33
XLogP3
9.7
Consensus LogP
7.72
Log S (ESOL)
-8.52
Class (ESOL)
Insoluble
Log S (Ali)
-10.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.3
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)
-1.91

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
10

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