![CAS 1441830-74-5 (R)-3-(tert-butyl)-4-(2,6-diphenoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1441830-74-5.gif)
CAS RN: 1441830-74-5
(R)-3-(tert-butyl)-4-(2,6-diphenoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole
Product Availability
Choose a grade to view its available package options.
7 package records4 with current stock2 grade groups
- Product code: SSC-055401
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 | Beijing | Inquiry |
1441830-74-5 / (3R)-3-tert-butyl-4-(2,6-diphenoxyphenyl)-2H-1,3-benzoxaphosphole
Basic Information
CAS
1441830-74-5
Multi CAS
No
Molecular Formula
C29H27O3P
Molecular Weight
454.500000
Exact Mass
454.169782
SMILES
CC(C)(C)[P@]1COC2=CC=CC(=C21)C3=C(C=CC=C3OC4=CC=CC=C4)OC5=CC=CC=C5
InChI
InChI=1S/C29H27O3P/c1-29(2,3)33-20-30-26-19-10-16-23(28(26)33)27-24(31-21-12-6-4-7-13-21)17-11-18-25(27)32-22-14-8-5-9-15-22/h4-19H,20H2,1-3H3/t33-/m0/s1
InChIKey
XVXXWYLOBKSUEI-XIFFEERXSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
24
Fraction Csp3
0.17
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
136.71
TPSA
27.69
LogP / Solubility
WLOGP
8.19
MLOGP
7.24
XLogP3
7
Consensus LogP
7.48
Log S (ESOL)
-8.03
Class (ESOL)
Insoluble
Log S (Ali)
-9.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.02
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)
0.33
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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