![CAS 1389329-66-1 (11bR)-8,9,10,11,12,13,14,15-octahydro-N,N-bis[(1R)-1-phenylethyl]-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-aMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1389329-66-1.gif)
CAS RN: 1389329-66-1
(11bR)-8,9,10,11,12,13,14,15-octahydro-N,N-bis[(1R)-1-phenylethyl]-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-aMine
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-049087
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 | Hong Kong | Inquiry |
1389329-66-1 / N,N-bis[(1R)-1-phenylethyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaen-13-amine
Basic Information
CAS
1389329-66-1
Multi CAS
No
Molecular Formula
C36H38NO2P
Molecular Weight
547.700000
Exact Mass
547.264016
SMILES
C[C@H](C1=CC=CC=C1)N([C@H](C)C2=CC=CC=C2)P3OC4=C(C5=C(CCCC5)C=C4)C6=C(O3)C=CC7=C6CCCC7
InChI
InChI=1S/C36H38NO2P/c1-25(27-13-5-3-6-14-27)37(26(2)28-15-7-4-8-16-28)40-38-33-23-21-29-17-9-11-19-31(29)35(33)36-32-20-12-10-18-30(32)22-24-34(36)39-40/h3-8,13-16,21-26H,9-12,17-20H2,1-2H3/t25-,26-/m1/s1
InChIKey
FGFFWGDLHSFEDX-CLJLJLNGSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
27
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
167.54
TPSA
29.52
LogP / Solubility
WLOGP
10.51
MLOGP
9.29
XLogP3
10.1
Consensus LogP
9.97
Log S (ESOL)
-10.03
Class (ESOL)
Insoluble
Log S (Ali)
-11.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.54
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.4
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7
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