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 |
1170817-91-0 / oxalic acid;pyrazin-2-ylmethanamine
C-PYRAZIN-2-YL-METHYLAMINE OXALATE | Pyrazin-2-ylmethanamine oxalate | 1-Pyrazin-2-ylmethylamine oxalate
Basic Information
CAS
1170817-91-0
Multi CAS
Yes
Molecular Formula
C7H9N3O4
Molecular Weight
199.160000
Exact Mass
199.059306
SMILES
C1=CN=C(C=N1)CN.C(=O)(C(=O)O)O
InChI
InChI=1S/C5H7N3.C2H2O4/c6-3-5-4-7-1-2-8-5;3-1(4)2(5)6/h1-2,4H,3,6H2;(H,3,4)(H,5,6)
InChIKey
FBWZTNXFDAXJRF-UHFFFAOYSA-N
Synonyms
C-PYRAZIN-2-YL-METHYLAMINE OXALATE
Pyrazin-2-ylmethanamine oxalate
1-Pyrazin-2-ylmethylamine oxalate
oxalic acid;pyrazin-2-ylmethanamine
MFCD04117722
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
3
Molar refractivity
45.2
TPSA
126.4
LogP / Solubility
WLOGP
-0.91
MLOGP
-0.8
XLogP3
-0.91
Consensus LogP
-0.87
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.32
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1170830-85-9 5,6,7,8-Tetrahydro-2H-[2,6]naphthyridin-1-one molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
5,6,7,8-Tetrahydro-2H-[2,6]naphthyridin-1-one
- CAS RN: 1170830-85-9
- Product Code: SSC-016917
-
2-METHYL-1,2,3,4-TETRAHYDROQUINOLIN-8-OL HYDROCHLORIDE
- CAS RN: 1170830-98-4
- Product Code: starshine_CAS1170830-98-4
- Purity/Analytical method: >99.0%
-
Calcein tetraethyl ester
- CAS RN: 1170856-93-5
- Product Code: starshine_CAS1170856-93-5
- Purity/Analytical method: >99.0%
-
2-CHLORO-6-FLUORO-BENZAMIDINE HYDROCHLORIDE
- CAS RN: 1170884-07-7
- Product Code: SSC-016923
-
(1-phenyl-1H-pyrazol-3-yl)methanamine hydrochloride
- CAS RN: 1170903-85-1
- Product Code: SSC-016924
-
3-[2-(Boc-aMino)ethyl]azetidine Hydrochloride
- CAS RN: 1170905-43-7
- Product Code: starshine_CAS1170905-43-7
- Purity/Analytical method: >99.0%
![CAS 1170830-85-9 5,6,7,8-Tetrahydro-2H-[2,6]naphthyridin-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1170830-85-9.gif)
![CAS 1170905-43-7 3-[2-(Boc-aMino)ethyl]azetidine Hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1170905-43-7.gif)