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CAS 1462321-89-6 (R)-Xyl-SDP(O) molecular structure lightbox
CAS RN: 1462321-89-6

(R)-Xyl-SDP(O)

Product Availability

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250101 100mg In stock Shanghai Inquiry
Batchno.20250701 1g Out of stock Inquiry
Batchno.20250323 250mg In stock Shanghai Inquiry
Batchno.20250115 50mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250930 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1462321-89-6
  • Purity/Analytical Methods: >99.0%
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1462321-89-6 / [(3R)-4'-bis(3,5-dimethylphenyl)phosphoryl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(3,5-dimethylphenyl)phosphane

Standard CAS: 1462321-89-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1462321-89-6
Multi CAS
No
Molecular Formula
C49H50OP2
Molecular Weight
716.900000
Exact Mass
716.333690
SMILES
CC1=CC(=CC(=C1)P(C2=CC=CC3=C2[C@@]4(CC3)CCC5=C4C(=CC=C5)P(=O)(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C
InChI
InChI=1S/C49H50OP2/c1-31-19-32(2)24-41(23-31)51(42-25-33(3)20-34(4)26-42)45-13-9-11-39-15-17-49(47(39)45)18-16-40-12-10-14-46(48(40)49)52(50,43-27-35(5)21-36(6)28-43)44-29-37(7)22-38(8)30-44/h9-14,19-30H,15-18H2,1-8H3/t49-/m1/s1
InChIKey
ZAQVAUFRFBAVHF-ANFMRNGASA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Aromatic heavy atom count
36
Fraction Csp3
0.27
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
226.3
TPSA
17.07

LogP / Solubility

WLOGP
9.73
MLOGP
8.62
XLogP3
12.5
Consensus LogP
10.28
Log S (ESOL)
-10.53
Class (ESOL)
Insoluble
Log S (Ali)
-12.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.12
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)
-0.18

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
8

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