CAS RN: 1083245-64-0
3-(3-Methylpyridin-4-Yl)Propanoic Acid
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.20250222 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1083245-64-0
- Purity/Analytical Methods: >99.0%
1083245-64-0 / 3-(3-methyl-4-pyridinyl)propanoic acid
3-(3-methylpyridin-4-yl)propanoic acid | MFCD21752827 | SCHEMBL23599089
Basic Information
CAS
1083245-64-0
Multi CAS
No
Molecular Formula
C9H11NO2
Molecular Weight
165.190000
Exact Mass
165.078979
SMILES
CC1=C(C=CN=C1)CCC(=O)O
InChI
InChI=1S/C9H11NO2/c1-7-6-10-5-4-8(7)2-3-9(11)12/h4-6H,2-3H2,1H3,(H,11,12)
InChIKey
LGLBNLVESBMHSH-UHFFFAOYSA-N
Synonyms
3-(3-methylpyridin-4-yl)propanoic acid
MFCD21752827
SCHEMBL23599089
ITB24564
AKOS015666834
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.93
TPSA
50.19
LogP / Solubility
WLOGP
1.41
MLOGP
1.23
XLogP3
1
Consensus LogP
1.21
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1083246-52-9 Methyl[(1-methyl-1H-imidazol-4-yl)methyl]amine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Methyl[(1-methyl-1H-imidazol-4-yl)methyl]amine
- CAS RN: 1083246-52-9
- Product Code: SSC-009706
-
-
-
-
[2-(methoxymethyl)-1,3-thiazol-4-yl]methanamine
- CAS RN: 1083299-58-4
- Product Code: SSC-009714
-
IMidazo[1,5-a]pyrazine, 5,6,7,8-tetrahydro-1,3-diMethyl-
- CAS RN: 1083317-78-5
- Product Code: SSC-009718
![CAS 1083246-52-9 Methyl[(1-methyl-1H-imidazol-4-yl)methyl]amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1083246-52-9.gif)
![CAS 1083282-02-3 IMidazo[1,5-a]pyriMidine-8-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1083282-02-3.gif)
![CAS 1083299-58-4 [2-(methoxymethyl)-1,3-thiazol-4-yl]methanamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1083299-58-4.gif)
![CAS 1083317-78-5 IMidazo[1,5-a]pyrazine, 5,6,7,8-tetrahydro-1,3-diMethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1083317-78-5.gif)