![CAS 2374143-30-1 ((2S,3S)-4-(benzyloxy)-3-(tert-butyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)di-tert-butylphosphine oxide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2374143-30-1.gif)
CAS RN: 2374143-30-1
((2S,3S)-4-(benzyloxy)-3-(tert-butyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)di-tert-butylphosphine oxide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250606 | 100mg | Out of stock | Inquiry |
- Product code: starshine_CAS2374143-30-1
- Purity/Analytical Methods: >99.0%
2374143-30-1 / (2S,3S)-3-tert-butyl-2-ditert-butylphosphoryl-4-phenylmethoxy-2H-1,3-benzoxaphosphole
Basic Information
CAS
2374143-30-1
Multi CAS
No
Molecular Formula
C26H38O3P2
Molecular Weight
460.500000
Exact Mass
460.229619
SMILES
CC(C)(C)[P@@]1[C@H](OC2=C1C(=CC=C2)OCC3=CC=CC=C3)P(=O)(C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C26H38O3P2/c1-24(2,3)30-22-20(28-18-19-14-11-10-12-15-19)16-13-17-21(22)29-23(30)31(27,25(4,5)6)26(7,8)9/h10-17,23H,18H2,1-9H3/t23-,30-/m0/s1
InChIKey
GTKZLBRRROWCSC-JHOBJCJYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
135.05
TPSA
35.53
LogP / Solubility
WLOGP
7.81
MLOGP
6.9
XLogP3
5.1
Consensus LogP
6.6
Log S (ESOL)
-7.64
Class (ESOL)
Insoluble
Log S (Ali)
-8.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.61
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)
0.01
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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