![CAS 1956437-18-5 (S)-2-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)pyrrolidine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1956437-18-5.gif)
CAS RN: 1956437-18-5
(S)-2-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)pyrrolidine hydrochloride
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS1956437-18-5
- Purity/Analytical Methods: >99.0%
1956437-18-5 / (2S)-2-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrrolidine;hydrochloride
Basic Information
CAS
1956437-18-5
Multi CAS
No
Molecular Formula
C11H12ClF2NO2
Molecular Weight
263.670000
Exact Mass
263.052463
SMILES
C1C[C@H](NC1)C2=C3C(=CC=C2)OC(O3)(F)F.Cl
InChI
InChI=1S/C11H11F2NO2.ClH/c12-11(13)15-9-5-1-3-7(10(9)16-11)8-4-2-6-14-8;/h1,3,5,8,14H,2,4,6H2;1H/t8-;/m0./s1
InChIKey
BWVHGZWQWVNASS-QRPNPIFTSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.87
TPSA
30.49
LogP / Solubility
WLOGP
2.85
MLOGP
2.52
XLogP3
2.85
Consensus LogP
2.74
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
![CAS 1956437-30-1 tert-butyl (S)-6-(trifluoromethyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
tert-butyl (S)-6-(trifluoromethyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
- CAS RN: 1956437-30-1
- Product Code: starshine_CAS1956437-30-1
- Purity/Analytical method: >99.0%
-
(R)-2-Amino-2-(3-fluoro-2-methylphenyl)ethanol hydrochloride
- CAS RN: 1956437-40-3
- Product Code: starshine_CAS1956437-40-3
- Purity/Analytical method: >99.0%
-
(R)-(1,4-Oxazepan-2-yl)methanol hydrochloride
- CAS RN: 1956437-54-9
- Product Code: starshine_CAS1956437-54-9
- Purity/Analytical method: >99.0%
-
2-((tert-butoxycarbonyl)amino)-2-(4,4-difluorocyclohexyl)acetic acid compound with acetic acid (1:1)
- CAS RN: 1956437-69-6
- Product Code: SSC-092552
-
(S)-1-(2,6-Dimethoxyphenyl)ethanamine hydrochloride
- CAS RN: 1956437-80-1
- Product Code: starshine_CAS1956437-80-1
- Purity/Analytical method: >99.0%
-
5-[(2R)-pyrrolidin-2-yl]-2H-1,2,3,4-tetrazole hydrochloride
- CAS RN: 1956437-95-8
- Product Code: SSC-092553
![CAS 1956437-30-1 tert-butyl (S)-6-(trifluoromethyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1956437-30-1.gif)
![CAS 1956437-95-8 5-[(2R)-pyrrolidin-2-yl]-2H-1,2,3,4-tetrazole hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1956437-95-8.gif)