![CAS 2374143-33-4 ((2S,3S)-4-(tert-butoxy)-3-(tert-butyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)di-tert-butylphosphine oxide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2374143-33-4.gif)
CAS RN: 2374143-33-4
((2S,3S)-4-(tert-butoxy)-3-(tert-butyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)di-tert-butylphosphine oxide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260214 | 25mg | Out of stock | Inquiry |
- Product code: starshine_CAS2374143-33-4
- Purity/Analytical Methods: >99.0%
2374143-33-4 / (2S,3S)-3-tert-butyl-2-ditert-butylphosphoryl-4-[(2-methylpropan-2-yl)oxy]-2H-1,3-benzoxaphosphole
Basic Information
CAS
2374143-33-4
Multi CAS
No
Molecular Formula
C23H40O3P2
Molecular Weight
426.500000
Exact Mass
426.245269
SMILES
CC(C)(C)OC1=CC=CC2=C1[P@@]([C@H](O2)P(=O)(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C23H40O3P2/c1-20(2,3)26-17-15-13-14-16-18(17)27(21(4,5)6)19(25-16)28(24,22(7,8)9)23(10,11)12/h13-15,19H,1-12H3/t19-,27-/m0/s1
InChIKey
YTSVKNHPNYLCOD-PPHZAIPVSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.74
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
124.66
TPSA
35.53
LogP / Solubility
WLOGP
7.41
MLOGP
6.54
XLogP3
4.6
Consensus LogP
6.18
Log S (ESOL)
-7.18
Class (ESOL)
Insoluble
Log S (Ali)
-8.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.82
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.06
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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