![CAS 1884594-02-8 (2S,3S)-4-(anthracen-9-yl)-3-(tert-butyl)-2-methyl-2,3-dihydrobenzo[d][1,3]oxaphosphole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1884594-02-8.gif)
CAS RN: 1884594-02-8
(2S,3S)-4-(anthracen-9-yl)-3-(tert-butyl)-2-methyl-2,3-dihydrobenzo[d][1,3]oxaphosphole
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250320 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260204 | 100mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250517 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260624 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260124 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1884594-02-8
- Purity/Analytical Methods: >99.0%
1884594-02-8 / (2S,3S)-4-anthracen-9-yl-3-tert-butyl-2-methyl-2H-1,3-benzoxaphosphole
Basic Information
CAS
1884594-02-8
Multi CAS
No
Molecular Formula
C26H25OP
Molecular Weight
384.400000
Exact Mass
384.164302
SMILES
C[C@H]1OC2=CC=CC(=C2[P@@]1C(C)(C)C)C3=C4C=CC=CC4=CC5=CC=CC=C53
InChI
InChI=1S/C26H25OP/c1-17-27-23-15-9-14-22(25(23)28(17)26(2,3)4)24-20-12-7-5-10-18(20)16-19-11-6-8-13-21(19)24/h5-17H,1-4H3/t17-,28+/m0/s1
InChIKey
YOXUHULUPBYLBU-YMGMXPECSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
20
Fraction Csp3
0.23
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
123.29
TPSA
9.23
LogP / Solubility
WLOGP
7.3
MLOGP
6.45
XLogP3
6.9
Consensus LogP
6.88
Log S (ESOL)
-7.29
Class (ESOL)
Insoluble
Log S (Ali)
-7.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.34
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)
0.12
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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