![CAS 1251002-60-4 5-(Tert-Butoxycarbonyl)-4,5,6,7-Tetrahydro-[1,2,3]Triazolo[1,5-A]Pyrazine-3-Carboxylic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251002-60-4.gif)
CAS RN: 1251002-60-4
5-(Tert-Butoxycarbonyl)-4,5,6,7-Tetrahydro-[1,2,3]Triazolo[1,5-A]Pyrazine-3-Carboxylic Acid
- Product code: SSC-029674
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 | Hong Kong | Inquiry |
1251002-60-4 / 5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid
Basic Information
CAS
1251002-60-4
Multi CAS
No
Molecular Formula
C11H16N4O4
Molecular Weight
268.270000
Exact Mass
268.117155
SMILES
CC(C)(C)OC(=O)N1CCN2C(=C(N=N2)C(=O)O)C1
InChI
InChI=1S/C11H16N4O4/c1-11(2,3)19-10(18)14-4-5-15-7(6-14)8(9(16)17)12-13-15/h4-6H2,1-3H3,(H,16,17)
InChIKey
SSGOLMOPQCDNIL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
63.63
TPSA
97.55
LogP / Solubility
WLOGP
0.73
MLOGP
0.65
Consensus LogP
0.46
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.84
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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