CAS RN: 945473-82-5
3-(pyridin-3-ylmethoxy)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.20250915 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS945473-82-5
- Purity/Analytical Methods: >99.0%
945473-82-5 / 3-(pyridin-3-ylmethoxy)benzoic acid
Basic Information
CAS
945473-82-5
Multi CAS
No
Molecular Formula
C13H11NO3
Molecular Weight
229.230000
Exact Mass
229.073893
InChI
InChI=1S/C13H11NO3/c15-13(16)11-4-1-5-12(7-11)17-9-10-3-2-6-14-8-10/h1-8H,9H2,(H,15,16)
InChIKey
MOEOUPZPWRMGFV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.97
TPSA
59.42
LogP / Solubility
WLOGP
2.36
MLOGP
2.08
XLogP3
1.8
Consensus LogP
2.08
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly 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)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 945491-51-0 Chloro(pentamethylcyclopentadienyl)[(2-pyridinyl-kN)phenyl-kC]iridum(III) molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Chloro(pentamethylcyclopentadienyl)[(2-pyridinyl-kN)phenyl-kC]iridum(III)
- CAS RN: 945491-51-0
- Product Code: starshine_CAS945491-51-0
- Purity/Analytical method: >99.0%
-
1-(2,2,2-trifluoroethyl)cyclobutane-1-carboxylic acid
- CAS RN: 945495-63-6
- Product Code: SSC-209611
-
[4-t-Butylphenyl]-N-(4-imidazol-1-yl phenyl)sulfonamide, Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-[4-(1H-imidazol-1-yl)phenyl]-
- CAS RN: 945526-43-2
- Product Code: starshine_CAS945526-43-2
- Purity/Analytical method: >99.0%
-
Cyanine 3 Monofunctional Hexanoic Acid Dye, Succinimidyl Ester, Potassium Salt 85%
- CAS RN: 945529-56-6
- Product Code: starshine_CAS945529-56-6
- Purity/Analytical method: >99.0%
-
-
![CAS 945491-51-0 Chloro(pentamethylcyclopentadienyl)[(2-pyridinyl-kN)phenyl-kC]iridum(III) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/945491-51-0.gif)
![CAS 945526-43-2 [4-t-Butylphenyl]-N-(4-imidazol-1-yl phenyl)sulfonamide, Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-[4-(1H-imidazol-1-yl)phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/945526-43-2.gif)
