![CAS 676127-12-1 “(11bR)-N,N-bis[(1R)-1-(1-naphthalenyl)ethyl]-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/676127-12-1.gif)
CAS RN: 676127-12-1
“(11bR)-N,N-bis[(1R)-1-(1-naphthalenyl)ethyl]-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine”
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260307 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS676127-12-1
- Purity/Analytical Methods: >99.0%
676127-12-1 / N,N-bis[(1R)-1-naphthalen-1-ylethyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
Basic Information
CAS
676127-12-1
Multi CAS
Yes
Molecular Formula
C44H34NO2P
Molecular Weight
639.700000
Exact Mass
639.232716
InChI
InChI=1S/C44H34NO2P/c1-29(35-23-11-17-31-13-3-7-19-37(31)35)45(30(2)36-24-12-18-32-14-4-8-20-38(32)36)48-46-41-27-25-33-15-5-9-21-39(33)43(41)44-40-22-10-6-16-34(40)26-28-42(44)47-48/h3-30H,1-2H3/t29-,30-/m1/s1
InChIKey
KEIZMADKDYGTFM-LOYHVIPDSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
43
Fraction Csp3
0.09
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
204.28
TPSA
29.52
LogP / Solubility
WLOGP
13.36
MLOGP
11.81
XLogP3
12.4
Consensus LogP
12.52
Log S (ESOL)
-12.56
Class (ESOL)
Insoluble
Log S (Ali)
-14.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.51
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)
2.87
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8
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