CAS RN: 2639622-98-1
(S)-2-(2-chloro-5-fluorophenyl)pyrrolidine hydrochloride
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.20251111 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2639622-98-1
- Purity/Analytical Methods: >99.0%
2639622-98-1 / (2S)-2-(2-chloro-5-fluorophenyl)pyrrolidine;hydrochloride
Basic Information
CAS
2639622-98-1
Multi CAS
No
Molecular Formula
C10H12Cl2FN
Molecular Weight
236.110000
Exact Mass
235.033083
SMILES
C1C[C@H](NC1)C2=C(C=CC(=C2)F)Cl.Cl
InChI
InChI=1S/C10H11ClFN.ClH/c11-9-4-3-7(12)6-8(9)10-2-1-5-13-10;/h3-4,6,10,13H,1-2,5H2;1H/t10-;/m0./s1
InChIKey
MZYAWBVYMJGXNS-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
58.64
TPSA
12.03
LogP / Solubility
WLOGP
3.33
MLOGP
2.93
XLogP3
3.33
Consensus LogP
3.2
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly 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)
-1.8
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
-
![CAS 2639939-72-1 1,3-Dioxolo[4,5-e][1,3,2]dioxaphosphepin, 4,4,8,8-tetrakis(3,5-diethylphenyl)tetrahydro-2,2-dimethyl-6-phenyl-, (3aS,8aS)- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1,3-Dioxolo[4,5-e][1,3,2]dioxaphosphepin, 4,4,8,8-tetrakis(3,5-diethylphenyl)tetrahydro-2,2-dimethyl-6-phenyl-, (3aS,8aS)-
- CAS RN: 2639939-72-1
- Product Code: starshine_CAS2639939-72-1
- Purity/Analytical method: >99.0%
-
(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine hydrochloride
- CAS RN: 2639960-45-3
- Product Code: SSC-123965
-
Pyrazolo[1,5-a]pyrimidine, 3,5-dichloro-6-iodo-
- CAS RN: 2640353-16-6
- Product Code: SSC-123975
-
INDEX NAME NOT YET ASSIGNED
- CAS RN: 2640378-28-3
- Product Code: starshine_CAS2640378-28-3
- Purity/Analytical method: >99.0%
-
4-Piperidinol, 4-(aminomethyl)-1-[5-[2-methoxy-6-(1-methylethyl)-3-pyridinyl]imidazo[2,1-b]-1,3,4-thiadiazol-2-yl]-
- CAS RN: 2640567-43-5
- Product Code: starshine_CAS2640567-43-5
- Purity/Analytical method: >99.0%
-
![CAS 2639939-72-1 1,3-Dioxolo[4,5-e][1,3,2]dioxaphosphepin, 4,4,8,8-tetrakis(3,5-diethylphenyl)tetrahydro-2,2-dimethyl-6-phenyl-, (3aS,8aS)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2639939-72-1.gif)
![CAS 2640353-16-6 Pyrazolo[1,5-a]pyrimidine, 3,5-dichloro-6-iodo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2640353-16-6.gif)
![CAS 2640567-43-5 4-Piperidinol, 4-(aminomethyl)-1-[5-[2-methoxy-6-(1-methylethyl)-3-pyridinyl]imidazo[2,1-b]-1,3,4-thiadiazol-2-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2640567-43-5.gif)
