![CAS 301847-87-0 (11aR)-1,11-Bis(diphenylphosphino)dibenzo[d,f][1,3]dioxepine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/301847-87-0.gif)
CAS RN: 301847-87-0
(11aR)-1,11-Bis(diphenylphosphino)dibenzo[d,f][1,3]dioxepine
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-133917
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 | Shanghai | Inquiry |
301847-87-0 / (1-diphenylphosphanylbenzo[d][1,3]benzodioxepin-11-yl)-diphenylphosphane
Basic Information
CAS
301847-87-0
Multi CAS
Yes
Molecular Formula
C37H28O2P2
Molecular Weight
566.600000
Exact Mass
566.156454
InChI
InChI=1S/C37H28O2P2/c1-5-15-28(16-6-1)40(29-17-7-2-8-18-29)34-25-13-23-32-36(34)37-33(39-27-38-32)24-14-26-35(37)41(30-19-9-3-10-20-30)31-21-11-4-12-22-31/h1-26H,27H2
InChIKey
MPAZTSPCGPGQNK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
36
Fraction Csp3
0.03
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
175.41
TPSA
18.46
LogP / Solubility
WLOGP
6.6
MLOGP
5.85
XLogP3
8.7
Consensus LogP
7.05
Log S (ESOL)
-7.76
Class (ESOL)
Insoluble
Log S (Ali)
-8.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.54
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.49
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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