CAS RN: 1262526-44-2
(2S,4R)-4-(3-fluorobenzyl)pyrrolidine-2-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.20250716 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1262526-44-2
- Purity/Analytical Methods: >99.0%
1262526-44-2 / (2S,4R)-4-[(3-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
Basic Information
CAS
1262526-44-2
Multi CAS
No
Molecular Formula
C12H14FNO2
Molecular Weight
223.240000
Exact Mass
223.100857
SMILES
C1[C@H](CN[C@@H]1C(=O)O)CC2=CC(=CC=C2)F
InChI
InChI=1S/C12H14FNO2/c13-10-3-1-2-8(5-10)4-9-6-11(12(15)16)14-7-9/h1-3,5,9,11,14H,4,6-7H2,(H,15,16)/t9-,11+/m1/s1
InChIKey
RGFRGRZSMVXTLF-KOLCDFICSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.64
TPSA
49.33
LogP / Solubility
WLOGP
1.43
MLOGP
1.26
XLogP3
-0.4
Consensus LogP
0.76
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-3.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
GS967
- CAS RN: 1262618-39-2
- Product Code: starshine_CAS1262618-39-2
- Purity/Analytical method: >99.0%
-
6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine
- CAS RN: 1262619-64-6
- Product Code: SSC-033224
-
4,6-Bis(3-(9H -carbazol-9-yl)phenyl)pyrimidine
- CAS RN: 1262678-77-2
- Product Code: starshine_CAS1262678-77-2
- Purity/Analytical method: >99.0%
-
-
4,9-Dibromo-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
- CAS RN: 1262727-09-2
- Product Code: SSC-033232
-
OVA Peptide (257-264) TFA
- CAS RN: 1262751-08-5
- Product Code: starshine_CAS1262751-08-5
- Purity/Analytical method: >99.0%
![CAS 1262619-64-6 6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1262619-64-6.gif)
![CAS 1262727-09-2 4,9-Dibromo-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1262727-09-2.gif)
