CAS RN: 729-17-9
METHYL 4′-METHOXYBIPHENYL-4-CARBOXYLATE
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.20250720 | 1g / 5g / 25g | Confirm by inquiry | Shanghai, Chongqing | Inquiry |
- Product code: starshine_CAS729-17-9
- Purity/Analytical Methods: >99.0%
729-17-9 / methyl 4-(4-methoxyphenyl)benzoate
Basic Information
CAS
729-17-9
Multi CAS
Yes
Molecular Formula
C15H14O3
Molecular Weight
242.270000
Exact Mass
242.094294
InChI
InChI=1S/C15H14O3/c1-17-14-9-7-12(8-10-14)11-3-5-13(6-4-11)15(16)18-2/h3-10H,1-2H3
InChIKey
YJOVQAHQGZBWIU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
69.77
TPSA
35.53
LogP / Solubility
WLOGP
3.15
MLOGP
2.78
XLogP3
3.9
Consensus LogP
3.28
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.21
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)
-1.96
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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