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CAS 203255-81-6 2-(1,1-Dimethylethyl)-6-methyl-4-[3-[[2,4,8,10-tetrakis(1,1-dimethyleth yl)dibenzo[d,f][1,3,2]dioxaphosphepin-6-yl]oxy]propyl] phenol molecular structure lightbox
CAS RN: 203255-81-6

2-(1,1-Dimethylethyl)-6-methyl-4-[3-[[2,4,8,10-tetrakis(1,1-dimethyleth yl)dibenzo[d,f][1,3,2]dioxaphosphepin-6-yl]oxy]propyl] phenol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250901 50mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS203255-81-6
  • Purity/Analytical Methods: >99.0%
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203255-81-6 / 2-tert-butyl-6-methyl-4-[3-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypropyl]phenol

Standard CAS: 203255-81-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
203255-81-6
Multi CAS
No
Molecular Formula
C42H61O4P
Molecular Weight
660.900000
Exact Mass
660.430747
SMILES
CC1=CC(=CC(=C1O)C(C)(C)C)CCCOP2OC3=C(C=C(C=C3C(C)(C)C)C(C)(C)C)C4=C(O2)C(=CC(=C4)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C42H61O4P/c1-26-20-27(21-32(35(26)43)40(8,9)10)18-17-19-44-47-45-36-30(22-28(38(2,3)4)24-33(36)41(11,12)13)31-23-29(39(5,6)7)25-34(37(31)46-47)42(14,15)16/h20-25,43H,17-19H2,1-16H3
InChIKey
MSXXDBCLAKQJQT-UHFFFAOYSA-N

Physical Properties

Physical Description
Dry Powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
21
Fraction Csp3
0.57
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
202.43
TPSA
55.74

LogP / Solubility

WLOGP
12.85
MLOGP
11.37
XLogP3
14.1
Consensus LogP
12.77
Log S (ESOL)
-12.04
Class (ESOL)
Insoluble
Log S (Ali)
-14.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.22
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)
2.37

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
4.5

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