![CAS 1363380-86-2 2-Boc-3,4-dihydro-1H-pyrrolo-[1,2-a]pyrazine-6-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1363380-86-2.gif)
CAS RN: 1363380-86-2
2-Boc-3,4-dihydro-1H-pyrrolo-[1,2-a]pyrazine-6-carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250920 | 100mg / 500mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-045294
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 | Shenzhen | Inquiry |
1363380-86-2 / 2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid
Basic Information
CAS
1363380-86-2
Multi CAS
No
Molecular Formula
C13H18N2O4
Molecular Weight
266.290000
Exact Mass
266.126657
SMILES
CC(C)(C)OC(=O)N1CCN2C(=CC=C2C(=O)O)C1
InChI
InChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)14-6-7-15-9(8-14)4-5-10(15)11(16)17/h4-5H,6-8H2,1-3H3,(H,16,17)
InChIKey
CUJDIXRXWMKMID-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.54
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.04
TPSA
71.77
LogP / Solubility
WLOGP
1.94
MLOGP
1.71
XLogP3
0.9
Consensus LogP
1.52
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
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)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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