![CAS 1884457-36-6 (2R,3R)-2-benzyl-3-(tert-butyl)-4-(2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1884457-36-6.gif)
CAS RN: 1884457-36-6
(2R,3R)-2-benzyl-3-(tert-butyl)-4-(2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260131 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-087690
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1884457-36-6 / (2R,3R)-2-benzyl-3-tert-butyl-4-(2,6-dimethoxyphenyl)-2H-1,3-benzoxaphosphole
Basic Information
CAS
1884457-36-6
Multi CAS
No
Molecular Formula
C26H29O3P
Molecular Weight
420.500000
Exact Mass
420.185432
SMILES
CC(C)(C)[P@]1[C@@H](OC2=CC=CC(=C21)C3=C(C=CC=C3OC)OC)CC4=CC=CC=C4
InChI
InChI=1S/C26H29O3P/c1-26(2,3)30-23(17-18-11-7-6-8-12-18)29-22-16-9-13-19(25(22)30)24-20(27-4)14-10-15-21(24)28-5/h6-16,23H,17H2,1-5H3/t23-,30+/m1/s1
InChIKey
RVXDJSOXKFKIKD-DJUQAAIZSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.31
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
125.85
TPSA
27.69
LogP / Solubility
WLOGP
6.24
MLOGP
5.52
XLogP3
5.9
Consensus LogP
5.89
Log S (ESOL)
-6.49
Class (ESOL)
Insoluble
Log S (Ali)
-7.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.17
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)
-0.86
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
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