CAS RN: 1218764-14-7
1-PYRROLIDINECARBOXYLIC ACID, 3-AMINO-4-(4-FLUOROPHENYL)-, 1,1-DIMETHYLETHYL ESTER, (3R,4R)-REL-
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.20250604 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-024633
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1218764-14-7 / tert-butyl (3R,4R)-3-amino-4-(4-fluorophenyl)pyrrolidine-1-carboxylate
Basic Information
CAS
1218764-14-7
Multi CAS
No
Molecular Formula
C15H21FN2O2
Molecular Weight
280.340000
Exact Mass
280.158706
SMILES
CC(C)(C)OC(=O)N1C[C@H]([C@H](C1)N)C2=CC=C(C=C2)F
InChI
InChI=1S/C15H21FN2O2/c1-15(2,3)20-14(19)18-8-12(13(17)9-18)10-4-6-11(16)7-5-10/h4-7,12-13H,8-9,17H2,1-3H3/t12-,13-/m0/s1
InChIKey
IEDYIVQVXJQGQC-STQMWFEESA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.92
TPSA
55.56
LogP / Solubility
WLOGP
2.49
MLOGP
2.2
XLogP3
1.9
Consensus LogP
2.2
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
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)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
1,2-Dimethyl-1H-Imidazole-4,5-Dicarboxylic Acid
- CAS RN: 1218764-87-4
- Product Code: SSC-024636
-
2,7-Bis(trimethylstannyl)naphtho[1,2-b:5,6-b’]dithiophene
- CAS RN: 1218771-02-8
- Product Code: starshine_CAS1218771-02-8
- Purity/Analytical method: >99.0%
-
CAY10505
- CAS RN: 1218777-13-9
- Product Code: starshine_CAS1218777-13-9
- Purity/Analytical method: >99.0%
-
N,N’-bis(2,6-bis(diphenylmethyl)-4-methylphenyl)imidazolium chloride
- CAS RN: 1218778-19-8
- Product Code: SSC-024637
-
![CAS 1218771-02-8 2,7-Bis(trimethylstannyl)naphtho[1,2-b:5,6-b’]dithiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1218771-02-8.gif)
