CAS RN: 1217710-13-8
3-((2S)PYRROLIDIN-2-YL)-1-METHOXYBENZENE
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.20250721 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1217710-13-8
- Purity/Analytical Methods: >99.0%
1217710-13-8 / (2S)-2-(3-methoxyphenyl)pyrrolidine
Basic Information
CAS
1217710-13-8
Multi CAS
No
Molecular Formula
C11H15NO
Molecular Weight
177.240000
Exact Mass
177.115364
SMILES
COC1=CC=CC(=C1)[C@@H]2CCCN2
InChI
InChI=1S/C11H15NO/c1-13-10-5-2-4-9(8-10)11-6-3-7-12-11/h2,4-5,8,11-12H,3,6-7H2,1H3/t11-/m0/s1
InChIKey
QGKFYRMABWIOIW-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.97
TPSA
21.26
LogP / Solubility
WLOGP
2.12
MLOGP
1.86
XLogP3
1.8
Consensus LogP
1.93
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
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)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
![CAS 1217710-80-9 3-[[(tert-Butoxy)carbonyl]amino]-1-piperidinecarboxylic acid tert-butyl ester molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
3-[[(tert-Butoxy)carbonyl]amino]-1-piperidinecarboxylic acid tert-butyl ester
- CAS RN: 1217710-80-9
- Product Code: starshine_CAS1217710-80-9
- Purity/Analytical method: >99.0%
-
-
-
Levofloxacin-d8
- CAS RN: 1217716-71-6
- Product Code: starshine_CAS1217716-71-6
- Purity/Analytical method: >99.0%
-
(3aS,4S,6aR)-N-(16-Amino-2-oxo-7,10,13-trioxa-3-azahexadec-1-yl)hexahydro-N-methyl-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide
- CAS RN: 1217717-09-3
- Product Code: starshine_CAS1217717-09-3
- Purity/Analytical method: >99.0%
-
(S)-3-CHLORO-1-(3,4-DICHLORO-PHENYL)-PROPAN-1-OL
- CAS RN: 1217719-76-0
- Product Code: SSC-024493
![CAS 1217710-80-9 3-[[(tert-Butoxy)carbonyl]amino]-1-piperidinecarboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1217710-80-9.gif)
![CAS 1217717-09-3 (3aS,4S,6aR)-N-(16-Amino-2-oxo-7,10,13-trioxa-3-azahexadec-1-yl)hexahydro-N-methyl-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB21872521.gif)
