![CAS 1365531-89-0 (R)-2,2′-Bis[bis(3,5-diMethylphenyl)phosphino]-4,4′,6,6′-tetraMethoxybiphenyl, 97+% molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1365531-89-0.gif)
CAS RN: 1365531-89-0
(R)-2,2′-Bis[bis(3,5-diMethylphenyl)phosphino]-4,4′,6,6′-tetraMethoxybiphenyl, 97+%
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250804 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1365531-89-0
- Purity/Analytical Methods: >99.0%
1365531-89-0 / [2-[2-bis(3,5-dimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,5-dimethylphenyl)phosphane
Basic Information
CAS
1365531-89-0
Multi CAS
No
Molecular Formula
C48H52O4P2
Molecular Weight
754.900000
Exact Mass
754.334084
SMILES
CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)C3=CC(=CC(=C3C4=C(C=C(C=C4P(C5=CC(=CC(=C5)C)C)C6=CC(=CC(=C6)C)C)OC)OC)OC)OC)C
InChI
InChI=1S/C48H52O4P2/c1-29-13-30(2)18-39(17-29)53(40-19-31(3)14-32(4)20-40)45-27-37(49-9)25-43(51-11)47(45)48-44(52-12)26-38(50-10)28-46(48)54(41-21-33(5)15-34(6)22-41)42-23-35(7)16-36(8)24-42/h13-28H,1-12H3
InChIKey
IDNKFBDRZBLTFQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
54
Aromatic heavy atom count
36
Fraction Csp3
0.25
Rotatable bonds
11
H-bond acceptors
4
Molar refractivity
233.39
TPSA
36.92
LogP / Solubility
WLOGP
9.37
MLOGP
8.31
XLogP3
11.7
Consensus LogP
9.79
Log S (ESOL)
-10.19
Class (ESOL)
Insoluble
Log S (Ali)
-12.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.67
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)
-0.67
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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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![CAS 1365531-90-3 (S)-2,2′-Bis[bis(3,5-diMethylphenyl)phosphino]-4,4′,6,6′-tetraMethoxybiphenyl molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1365531-90-3.gif)
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