CAS RN: 21905-73-7
2-(2-METHOXYPHENOXY)BENZOIC 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.20251119 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS21905-73-7
- Purity/Analytical Methods: >99.0%
21905-73-7 / 2-(2-methoxyphenoxy)benzoic acid
Basic Information
CAS
21905-73-7
Multi CAS
No
Molecular Formula
C14H12O4
Molecular Weight
244.240000
Exact Mass
244.073559
SMILES
COC1=CC=CC=C1OC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C14H12O4/c1-17-12-8-4-5-9-13(12)18-11-7-3-2-6-10(11)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey
LFWIIPSSDWXVJZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.47
TPSA
55.76
LogP / Solubility
WLOGP
3.19
MLOGP
2.81
XLogP3
3.1
Consensus LogP
3.03
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
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)
-1.95
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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- CAS RN: 21907-47-1
- Product Code: starshine_CAS21907-47-1
- Purity/Analytical method: >99.0%
