![CAS 2247163-07-9 (2S,3S)-4-(anthracen-9-yl)-3-(tert-butyl)-2-(2-methoxypropan-2-yl)-2,3-dihydrobenzo[d][1,3]oxaphosphole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2247163-07-9.gif)
CAS RN: 2247163-07-9
(2S,3S)-4-(anthracen-9-yl)-3-(tert-butyl)-2-(2-methoxypropan-2-yl)-2,3-dihydrobenzo[d][1,3]oxaphosphole
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260111 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2247163-07-9
- Purity/Analytical Methods: >99.0%
2247163-07-9 / (2S,3S)-4-anthracen-9-yl-3-tert-butyl-2-(2-methoxypropan-2-yl)-2H-1,3-benzoxaphosphole
Basic Information
CAS
2247163-07-9
Multi CAS
No
Molecular Formula
C29H31O2P
Molecular Weight
442.500000
Exact Mass
442.206167
SMILES
CC(C)(C)[P@@]1[C@H](OC2=CC=CC(=C21)C3=C4C=CC=CC4=CC5=CC=CC=C53)C(C)(C)OC
InChI
InChI=1S/C29H31O2P/c1-28(2,3)32-26-23(16-11-17-24(26)31-27(32)29(4,5)30-6)25-21-14-9-7-12-19(21)18-20-13-8-10-15-22(20)25/h7-18,27H,1-6H3/t27-,32-/m0/s1
InChIKey
KSFFMGCOVIIBPE-UCGGBYDDSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
20
Fraction Csp3
0.31
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
138.7
TPSA
18.46
LogP / Solubility
WLOGP
7.71
MLOGP
6.81
XLogP3
7
Consensus LogP
7.17
Log S (ESOL)
-7.71
Class (ESOL)
Insoluble
Log S (Ali)
-8.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.3
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)
0.05
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
4.5
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