CAS RN: 2061996-80-1
2-((2S)PYRROLIDIN-2-YL)-5-FLUOROPYRIDINE DIHYDROCHLORIDE
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.20250218 | 250mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2061996-80-1
- Purity/Analytical Methods: >99.0%
2061996-80-1 / 5-fluoro-2-[(2S)-pyrrolidin-2-yl]pyridine;hydrochloride
Basic Information
CAS
2061996-80-1
Multi CAS
No
Molecular Formula
C9H12ClFN2
Molecular Weight
202.650000
Exact Mass
202.067304
SMILES
C1C[C@H](NC1)C2=NC=C(C=C2)F.Cl
InChI
InChI=1S/C9H11FN2.ClH/c10-7-3-4-9(12-6-7)8-2-1-5-11-8;/h3-4,6,8,11H,1-2,5H2;1H/t8-;/m0./s1
InChIKey
DPEWKAYMBLXUIV-QRPNPIFTSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.42
TPSA
24.92
LogP / Solubility
WLOGP
2.07
MLOGP
1.82
XLogP3
2.07
Consensus LogP
1.99
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
METHYL (2S)-2-AMINO-2-(2,4-DIFLUOROPHENYL)ACETATE HYDROCHLORIDE
- CAS RN: 2061996-82-3
- Product Code: starshine_CAS2061996-82-3
- Purity/Analytical method: >99.0%
-
(3S)-3-AMINO-3-(5-CHLORO-3-METHOXYPHENYL)PROPANOIC ACID HYDROCHLORIDE
- CAS RN: 2061996-84-5
- Product Code: starshine_CAS2061996-84-5
- Purity/Analytical method: >99.0%
-
(S)-tert-Butyl 2-(3-bromophenyl)pyrrolidine-1-carboxylate
- CAS RN: 2061996-90-3
- Product Code: starshine_CAS2061996-90-3
- Purity/Analytical method: >99.0%
-
3-((2R)PYRROLIDIN-2-YL)PHENYLAMINE DIHYDROCHLORIDE
- CAS RN: 2061996-91-4
- Product Code: starshine_CAS2061996-91-4
- Purity/Analytical method: >99.0%
-
(S)-2-Amino-2-(4-cyclopropoxyphenyl)ethanol hydrochloride
- CAS RN: 2061996-92-5
- Product Code: starshine_CAS2061996-92-5
- Purity/Analytical method: >99.0%
-
Imidazo[1,5-a]pyrazin-8(7H)-one, 6-[(3S,4S)-4-methyl-1-(2-pyrimidinylmethyl)-3-pyrrolidinyl]-3-(tetrahydro-2H-pyran-4-yl)-
- CAS RN: 2062661-53-2
- Product Code: starshine_CAS2062661-53-2
- Purity/Analytical method: >99.0%
![CAS 2062661-53-2 Imidazo[1,5-a]pyrazin-8(7H)-one, 6-[(3S,4S)-4-methyl-1-(2-pyrimidinylmethyl)-3-pyrrolidinyl]-3-(tetrahydro-2H-pyran-4-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2062661-53-2.png)