CAS RN: 150971-45-2
(R)-(+)-2,2′-Bis(di-i-propylphosphino)-6,6′-dimethoxy-1,1′-biphenyl,min.97%
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260516 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS150971-45-2
- Purity/Analytical Methods: >99.0%
150971-45-2 / [2-[2-di(propan-2-yl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-di(propan-2-yl)phosphane
Basic Information
CAS
150971-45-2
Multi CAS
No
Molecular Formula
C26H40O2P2
Molecular Weight
446.500000
Exact Mass
446.250355
SMILES
CC(C)P(C1=CC=CC(=C1C2=C(C=CC=C2P(C(C)C)C(C)C)OC)OC)C(C)C
InChI
InChI=1S/C26H40O2P2/c1-17(2)29(18(3)4)23-15-11-13-21(27-9)25(23)26-22(28-10)14-12-16-24(26)30(19(5)6)20(7)8/h11-20H,1-10H3
InChIKey
HLLUWVKDDQIKNF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.54
Rotatable bonds
9
H-bond acceptors
2
Molar refractivity
138.63
TPSA
18.46
LogP / Solubility
WLOGP
7.22
MLOGP
6.38
XLogP3
5.8
Consensus LogP
6.47
Log S (ESOL)
-6.86
Class (ESOL)
Insoluble
Log S (Ali)
-8.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.63
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)
-0.32
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
2.5
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