CAS RN: 13118-91-7
1,3-Bis(4-methoxyphenoxy)benzene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250714 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-037899
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
13118-91-7 / 1,3-bis(4-methoxyphenoxy)benzene
Basic Information
CAS
13118-91-7
Multi CAS
No
Molecular Formula
C20H18O4
Molecular Weight
322.400000
Exact Mass
322.120509
SMILES
COC1=CC=C(C=C1)OC2=CC(=CC=C2)OC3=CC=C(C=C3)OC
InChI
InChI=1S/C20H18O4/c1-21-15-6-10-17(11-7-15)23-19-4-3-5-20(14-19)24-18-12-8-16(22-2)9-13-18/h3-14H,1-2H3
InChIKey
MUFYVNCRQIHDCE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
92.58
TPSA
36.92
LogP / Solubility
WLOGP
5.29
MLOGP
4.67
XLogP3
5.3
Consensus LogP
5.09
Log S (ESOL)
-5.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.86
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
