CAS RN: 3753-18-2
4,4′-Bis(methoxymethyl)biphenyl
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260102 | 100g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260527 | 1kg | In stock | Shanghai | Inquiry |
| Batchno.20260310 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20260505 | 500g | In stock | Shanghai, Shenzhen, Chengdu | Inquiry |
| Batchno.20250827 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
- Product code: ICTB3046
- Purity/Analytical Methods: >96.0%(GC)
3753-18-2 / 1-(methoxymethyl)-4-[4-(methoxymethyl)phenyl]benzene
Basic Information
CAS
3753-18-2
Multi CAS
No
Molecular Formula
C16H18O2
Molecular Weight
242.310000
Exact Mass
242.130680
InChI
InChI=1S/C16H18O2/c1-17-11-13-3-7-15(8-4-13)16-9-5-14(6-10-16)12-18-2/h3-10H,11-12H2,1-2H3
InChIKey
MODAACUAXYPNJH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
73.3
TPSA
18.46
LogP / Solubility
WLOGP
3.65
MLOGP
3.21
XLogP3
2.8
Consensus LogP
3.22
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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