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CAS 142494-67-5 (2R,5R)-(+)-BIS(DIPHENYLPHOSPHINO)HEXANE molecular structure lightbox
CAS RN: 142494-67-5

(2R,5R)-(+)-BIS(DIPHENYLPHOSPHINO)HEXANE

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260124 100mg In stock Shanghai Inquiry
Batchno.20260406 1g In stock Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251129 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260307 50mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
Batchno.20260113 5g Out of stock Inquiry
  • Product code: starshine_CAS142494-67-5
  • Purity/Analytical Methods: >99.0%
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142494-67-5 / [(2R,5R)-5-diphenylphosphanylhexan-2-yl]-diphenylphosphane

Standard CAS: 142494-67-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
142494-67-5
Multi CAS
No
Molecular Formula
C30H32P2
Molecular Weight
454.500000
Exact Mass
454.197925
SMILES
C[C@H](CC[C@@H](C)P(C1=CC=CC=C1)C2=CC=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C30H32P2/c1-25(31(27-15-7-3-8-16-27)28-17-9-4-10-18-28)23-24-26(2)32(29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-22,25-26H,23-24H2,1-2H3/t25-,26-/m1/s1
InChIKey
PDXNCYRUWZPRJX-CLJLJLNGSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
24
Fraction Csp3
0.2
Rotatable bonds
9
Molar refractivity
146.3
TPSA
0.0000

LogP / Solubility

WLOGP
6.81
MLOGP
6.02
XLogP3
7.5
Consensus LogP
6.78
Log S (ESOL)
-6.91
Class (ESOL)
Insoluble
Log S (Ali)
-8.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.35
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
Yes
Log Kp (skin permeation)
-0.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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