CAS RN: 38613-77-3
Tetrakis(2,4-di-tert-butylphenyl)-1,1-biphenyl-4,4′-diylbisphosphonite
Product Availability
Choose a grade to view its available package options.
4 package records1 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251030 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing | Inquiry |
- Product code: starshine_CAS38613-77-3
- Purity/Analytical Methods: >99.0%
38613-77-3 / [4-[4-bis(2,4-ditert-butylphenoxy)phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenoxy)phosphane
Basic Information
CAS
38613-77-3
Multi CAS
Yes
Molecular Formula
C68H92O4P2
Molecular Weight
1035.400000
Exact Mass
1034.647085
InChI
InChI=1S/C68H92O4P2/c1-61(2,3)47-29-37-57(53(41-47)65(13,14)15)69-73(70-58-38-30-48(62(4,5)6)42-54(58)66(16,17)18)51-33-25-45(26-34-51)46-27-35-52(36-28-46)74(71-59-39-31-49(63(7,8)9)43-55(59)67(19,20)21)72-60-40-32-50(64(10,11)12)44-56(60)68(22,23)24/h25-44H,1-24H3
InChIKey
BEIOEBMXPVYLRY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
74
Aromatic heavy atom count
36
Fraction Csp3
0.47
Rotatable bonds
11
H-bond acceptors
4
Molar refractivity
322.87
TPSA
36.92
LogP / Solubility
WLOGP
19.92
MLOGP
17.63
XLogP3
23.5
Consensus LogP
20.35
Log S (ESOL)
-18.45
Class (ESOL)
Insoluble
Log S (Ali)
-22.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-24.25
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)
5.11
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
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