CAS RN: 389125-79-5
R-3-iodo-2,2′-bis(MethoxyMethoxy)1,1′-Binaphthalene
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260128 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS389125-79-5
- Purity/Analytical Methods: >99.0%
389125-79-5 / 3-iodo-2-(methoxymethoxy)-1-[2-(methoxymethoxy)naphthalen-1-yl]naphthalene
Basic Information
CAS
389125-79-5
Multi CAS
No
Molecular Formula
C24H21IO4
Molecular Weight
500.300000
Exact Mass
500.048460
InChI
InChI=1S/C24H21IO4/c1-26-14-28-21-12-11-16-7-3-5-9-18(16)22(21)23-19-10-6-4-8-17(19)13-20(25)24(23)29-15-27-2/h3-13H,14-15H2,1-2H3
InChIKey
OUPCSRINMVPBMQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
20
Fraction Csp3
0.17
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
124.62
TPSA
36.92
LogP / Solubility
WLOGP
6.23
MLOGP
5.52
XLogP3
6.5
Consensus LogP
6.08
Log S (ESOL)
-6.92
Class (ESOL)
Insoluble
Log S (Ali)
-8.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.92
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)
-1.35
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
3
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