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CAS 190003-83-9 (S)-(-)-2,2′-BIS[BIS(3,5-DIMETHYLPHENYL)PHOSPHINO]-5,5′,6,6′,7,7′,8,8′-OCTAHYDRO-1,1′-BINAPHTHYL molecular structure lightbox
CAS RN: 190003-83-9

(S)-(-)-2,2′-BIS[BIS(3,5-DIMETHYLPHENYL)PHOSPHINO]-5,5′,6,6′,7,7′,8,8′-OCTAHYDRO-1,1′-BINAPHTHYL

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260525 100mg In stock Shanghai Inquiry
Batchno.20260503 1g In stock Shanghai Inquiry
Batchno.20260313 250mg In stock Shanghai Inquiry
Batchno.20250317 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS190003-83-9
  • Purity/Analytical Methods: >99.0%
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190003-83-9 / [1-[2-bis(3,5-dimethylphenyl)phosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane

Standard CAS: 190003-83-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
190003-83-9
Multi CAS
No
Molecular Formula
C52H56P2
Molecular Weight
742.900000
Exact Mass
742.385726
SMILES
CC1=CC(=CC(=C1)P(C2=C(C3=C(CCCC3)C=C2)C4=C(C=CC5=C4CCCC5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C
InChI
InChI=1S/C52H56P2/c1-33-21-34(2)26-43(25-33)53(44-27-35(3)22-36(4)28-44)49-19-17-41-13-9-11-15-47(41)51(49)52-48-16-12-10-14-42(48)18-20-50(52)54(45-29-37(5)23-38(6)30-45)46-31-39(7)24-40(8)32-46/h17-32H,9-16H2,1-8H3
InChIKey
MSFLWCTZCJTICH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
54
Aromatic heavy atom count
36
Fraction Csp3
0.31
Rotatable bonds
7
Molar refractivity
240.47
TPSA
0.0000

LogP / Solubility

WLOGP
11.09
MLOGP
9.83
XLogP3
14.6
Consensus LogP
11.84
Log S (ESOL)
-11.47
Class (ESOL)
Insoluble
Log S (Ali)
-13.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.54
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)
0.63

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
6.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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