CAS RN: 2250242-36-3
(2S)-2-(3,5-DIFLUOROPHENYL)PYRROLIDINE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock2 grade groups
- Product code: starshine_CAS2250242-36-3
- Purity/Analytical Methods: >99.0%
2250242-36-3 / 2-(3,5-difluorophenyl)pyrrolidine;hydrochloride
Basic Information
CAS
2250242-36-3
Multi CAS
No
Molecular Formula
C10H12ClF2N
Molecular Weight
219.660000
Exact Mass
219.062633
SMILES
C1CC(NC1)C2=CC(=CC(=C2)F)F.Cl
InChI
InChI=1S/C10H11F2N.ClH/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10;/h4-6,10,13H,1-3H2;1H/t10-;/m0./s1
InChIKey
TYNQBQBSZWTLJM-PPHPATTJSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.58
TPSA
12.03
LogP / Solubility
WLOGP
2.81
MLOGP
2.48
XLogP3
2.81
Consensus LogP
2.7
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly 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)
-2.06
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
-
Avanafil Impurity 26
- CAS RN: 2250242-42-1
- Product Code: starshine_CAS2250242-42-1
- Purity/Analytical method: >99.0%
-
(2R)-2-AMINO-2-(4-BROMO-2-METHYLPHENYL)ETHAN-1-OL HYDROCHLORIDE
- CAS RN: 2250242-63-6
- Product Code: starshine_CAS2250242-63-6
- Purity/Analytical method: >99.0%
-
(R)-2-(piperazin-2-yl)acetonitrile dihydrochloride
- CAS RN: 2250242-66-9
- Product Code: SSC-110047
-
methyl 5-bromo-4-chloropyrazolo[1,5-a]pyridine-3-carboxylate
- CAS RN: 2250242-68-1
- Product Code: SSC-110049
-
3-((2S)PYRROLIDIN-2-YL)PHENOL HYDROCHLORIDE
- CAS RN: 2250242-77-2
- Product Code: starshine_CAS2250242-77-2
- Purity/Analytical method: >99.0%
-
(2S)-2-(2,4-DIFLUOROPHENYL)PYRROLIDINE HYDROCHLORIDE
- CAS RN: 2250243-07-1
- Product Code: starshine_CAS2250243-07-1
- Purity/Analytical method: >99.0%
![CAS 2250242-68-1 methyl 5-bromo-4-chloropyrazolo[1,5-a]pyridine-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2250242-68-1.gif)
