CAS RN: 400027-47-6
3,3′-diiodo-2,2′-dimethoxy-5,5′,6,6′,7,7′,8,8′-octahydro-1,1′-binaphthalene
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250622 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS400027-47-6
- Purity/Analytical Methods: >99.0%
400027-47-6 / 7-iodo-5-(3-iodo-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
Basic Information
CAS
400027-47-6
Multi CAS
No
Molecular Formula
C22H24I2O2
Molecular Weight
574.200000
Exact Mass
573.986580
InChI
InChI=1S/C22H24I2O2/c1-25-21-17(23)11-13-7-3-5-9-15(13)19(21)20-16-10-6-4-8-14(16)12-18(24)22(20)26-2/h11-12H,3-10H2,1-2H3
InChIKey
NPYDHYBZZHRRPF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
123.7
TPSA
18.46
LogP / Solubility
WLOGP
6.34
MLOGP
5.62
XLogP3
7.5
Consensus LogP
6.49
Log S (ESOL)
-7.54
Class (ESOL)
Insoluble
Log S (Ali)
-8.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.01
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)
-1.72
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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