CAS RN: 676348-31-5
3′,4′-DIMETHOXYBIPHENYL-3-CARBOXYLIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250925 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS676348-31-5
- Purity/Analytical Methods: >99.0%
676348-31-5 / 3-(3,4-dimethoxyphenyl)benzoic acid
Basic Information
CAS
676348-31-5
Multi CAS
Yes
Molecular Formula
C15H14O4
Molecular Weight
258.270000
Exact Mass
258.089209
InChI
InChI=1S/C15H14O4/c1-18-13-7-6-11(9-14(13)19-2)10-4-3-5-12(8-10)15(16)17/h3-9H,1-2H3,(H,16,17)
InChIKey
ZDBOLXDKLAYRRK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.94
TPSA
55.76
LogP / Solubility
WLOGP
3.07
MLOGP
2.71
XLogP3
3
Consensus LogP
2.93
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.37
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)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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