![CAS 376355-58-7 N N-BIS-[(S)-1-PHENYLETHYL]DIBENZO[D F][ molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/376355-58-7.gif)
CAS RN: 376355-58-7
N N-BIS-[(S)-1-PHENYLETHYL]DIBENZO[D F][
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-145055
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 |
376355-58-7 / N,N-bis[(1R)-1-phenylethyl]benzo[d][1,3,2]benzodioxaphosphepin-6-amine
Basic Information
CAS
376355-58-7
Multi CAS
Yes
Molecular Formula
C28H26NO2P
Molecular Weight
439.500000
Exact Mass
439.170116
InChI
InChI=1S/C28H26NO2P/c1-21(23-13-5-3-6-14-23)29(22(2)24-15-7-4-8-16-24)32-30-27-19-11-9-17-25(27)26-18-10-12-20-28(26)31-32/h3-22H,1-2H3/t21-,22-/m0/s1
InChIKey
JISGHECLGYELKD-VXKWHMMOSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
27
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
134.25
TPSA
29.52
LogP / Solubility
WLOGP
8.75
MLOGP
7.73
XLogP3
7.4
Consensus LogP
7.96
Log S (ESOL)
-8.37
Class (ESOL)
Insoluble
Log S (Ali)
-9.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.38
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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