CAS RN: 65355-11-5
1,1′-Binaphthalene, 2,2′-bis(methoxymethoxy)-3,3′-dimethyl-, (1R)-
- Product code: SSC-174998
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
65355-11-5 / 2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3-methylnaphthalen-1-yl]-3-methylnaphthalene
Basic Information
CAS
65355-11-5
Multi CAS
No
Molecular Formula
C26H26O4
Molecular Weight
402.500000
Exact Mass
402.183109
InChI
InChI=1S/C26H26O4/c1-17-13-19-9-5-7-11-21(19)23(25(17)29-15-27-3)24-22-12-8-6-10-20(22)14-18(2)26(24)30-16-28-4/h5-14H,15-16H2,1-4H3
InChIKey
HCCDUVIGYCWYAY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
20
Fraction Csp3
0.23
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
121.37
TPSA
36.92
LogP / Solubility
WLOGP
6.24
MLOGP
5.52
XLogP3
6.6
Consensus LogP
6.12
Log S (ESOL)
-6.3
Class (ESOL)
Insoluble
Log S (Ali)
-7.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.3
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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