![CAS 1477517-18-2 “(2R,3R)-3-(tert-butyl)-4-(2,6-dimethoxyphenyl)-2-methyl-2,3-dihydrobenzo[d][1,3]oxaphosphole” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1477517-18-2.gif)
CAS RN: 1477517-18-2
“(2R,3R)-3-(tert-butyl)-4-(2,6-dimethoxyphenyl)-2-methyl-2,3-dihydrobenzo[d][1,3]oxaphosphole”
Product Availability
Choose a grade to view its available package options.
3 package records1 with current stock1 grade group
- Product code: SSC-058274
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1477517-18-2 / (2R)-3-tert-butyl-4-(2,6-dimethoxyphenyl)-2-methyl-2H-1,3-benzoxaphosphole
Basic Information
CAS
1477517-18-2
Multi CAS
No
Molecular Formula
C20H25O3P
Molecular Weight
344.400000
Exact Mass
344.154132
SMILES
C[C@@H]1OC2=CC=CC(=C2P1C(C)(C)C)C3=C(C=CC=C3OC)OC
InChI
InChI=1S/C20H25O3P/c1-13-23-17-12-7-9-14(19(17)24(13)20(2,3)4)18-15(21-5)10-8-11-16(18)22-6/h7-13H,1-6H3
InChIKey
MWVWXQBMRNEOBK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
101.38
TPSA
27.69
LogP / Solubility
WLOGP
5.01
MLOGP
4.43
XLogP3
4.3
Consensus LogP
4.58
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.42
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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“(2R,3R)-3-(tert-butyl)-4-(2,6-dimethoxyphenyl)-2-isopropyl-2,3-dihydrobenzo[d][1,3]oxaphosphole”
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![CAS 1477517-19-3 “(2R,3R)-3-(tert-butyl)-4-(2,6-dimethoxyphenyl)-2-isopropyl-2,3-dihydrobenzo[d][1,3]oxaphosphole” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1477517-19-3.gif)
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![CAS 1477517-21-7 “(2S,3S)-3-(tert-butyl)-4-(2,6-dimethoxyphenyl)-2-isopropyl-2,3-dihydrobenzo[d][1,3]oxaphosphole” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1477517-21-7.gif)
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