![CAS 2374143-28-7 di-tert-butyl((2S,3S)-3-(tert-butyl)-4-(2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)phosphine oxide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2374143-28-7.gif)
CAS RN: 2374143-28-7
di-tert-butyl((2S,3S)-3-(tert-butyl)-4-(2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)phosphine oxide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251211 | 100mg | Out of stock | Inquiry |
- Product code: starshine_CAS2374143-28-7
- Purity/Analytical Methods: >99.0%
2374143-28-7 / (2S,3S)-3-tert-butyl-2-ditert-butylphosphoryl-4-(2,6-dimethoxyphenyl)-2H-1,3-benzoxaphosphole
Basic Information
CAS
2374143-28-7
Multi CAS
No
Molecular Formula
C27H40O4P2
Molecular Weight
490.600000
Exact Mass
490.240184
SMILES
CC(C)(C)[P@@]1[C@H](OC2=CC=CC(=C21)C3=C(C=CC=C3OC)OC)P(=O)(C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C27H40O4P2/c1-25(2,3)32-23-18(22-19(29-10)15-13-16-20(22)30-11)14-12-17-21(23)31-24(32)33(28,26(4,5)6)27(7,8)9/h12-17,24H,1-11H3/t24-,32-/m0/s1
InChIKey
FOFSIWINXJCDGO-BNHRFMORSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
142.82
TPSA
44.76
LogP / Solubility
WLOGP
7.91
MLOGP
7
XLogP3
5.2
Consensus LogP
6.7
Log S (ESOL)
-7.87
Class (ESOL)
Insoluble
Log S (Ali)
-9.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.9
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)
-0.09
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
3.5
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