![CAS 1418307-17-1 1-Pyrrolidinecarboxylic acid, 2-[[[(3-chloro-2-pyrazinyl)methyl]amino]carbonyl]-, phenylmethyl ester, (2S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1418307-17-1.gif)
CAS RN: 1418307-17-1
1-Pyrrolidinecarboxylic acid, 2-[[[(3-chloro-2-pyrazinyl)methyl]amino]carbonyl]-, phenylmethyl ester, (2S)-
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.20250522 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-052551
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1418307-17-1 / benzyl 2-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate
Basic Information
CAS
1418307-17-1
Multi CAS
No
Molecular Formula
C18H19ClN4O3
Molecular Weight
374.800000
Exact Mass
374.114568
SMILES
C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NCC3=NC=CN=C3Cl
InChI
InChI=1S/C18H19ClN4O3/c19-16-14(20-8-9-21-16)11-22-17(24)15-7-4-10-23(15)18(25)26-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,15H,4,7,10-12H2,(H,22,24)
InChIKey
FGJFNCMHEQQNJP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
95.24
TPSA
84.42
LogP / Solubility
WLOGP
2.55
MLOGP
2.26
XLogP3
1.8
Consensus LogP
2.2
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.81
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
GHS Hazard Statements
H412 (50%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501
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