![CAS 2374143-32-3 di-tert-butyl((2S,3S)-3-(tert-butyl)-4-isopropoxy-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)phosphine oxide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2374143-32-3.gif)
CAS RN: 2374143-32-3
di-tert-butyl((2S,3S)-3-(tert-butyl)-4-isopropoxy-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.20250308 | 25mg | Out of stock | Inquiry |
- Product code: starshine_CAS2374143-32-3
- Purity/Analytical Methods: >99.0%
2374143-32-3 / (2S,3S)-3-tert-butyl-2-ditert-butylphosphoryl-4-propan-2-yloxy-2H-1,3-benzoxaphosphole
Basic Information
CAS
2374143-32-3
Multi CAS
No
Molecular Formula
C22H38O3P2
Molecular Weight
412.500000
Exact Mass
412.229619
SMILES
CC(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/C22H38O3P2/c1-15(2)24-16-13-12-14-17-18(16)26(20(3,4)5)19(25-17)27(23,21(6,7)8)22(9,10)11/h12-15,19H,1-11H3/t19-,26-/m0/s1
InChIKey
FKHJAXVNWDSMMO-SIBVEZHUSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.73
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
120.04
TPSA
35.53
LogP / Solubility
WLOGP
7.02
MLOGP
6.2
XLogP3
4.4
Consensus LogP
5.87
Log S (ESOL)
-6.78
Class (ESOL)
Insoluble
Log S (Ali)
-8.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.52
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)
-0.26
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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