CAS RN: 637336-53-9
1H-Pyrazole-3-carboxylicacid,4-amino-1-methyl-,methylester(9CI)
- Product code: SSC-173488
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 1g, 0.1g, 5g, 10g
- Available purity: >97%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | >97% | 3 In Stock | Shenzhen | Inquiry |
| 1g | >97% | 3 In Stock | Beijing | Inquiry |
| 0.1g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 10g | >97% | 1 In Stock | Hong Kong | Inquiry |
637336-53-9 / methyl 4-amino-1-methylpyrazole-3-carboxylate
Basic Information
CAS
637336-53-9
Multi CAS
No
Molecular Formula
C6H9N3O2
Molecular Weight
155.150000
Exact Mass
155.069477
InChI
InChI=1S/C6H9N3O2/c1-9-3-4(7)5(8-9)6(10)11-2/h3H,7H2,1-2H3
InChIKey
UBOGPSNFKMAOPP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
38.96
TPSA
70.14
LogP / Solubility
WLOGP
-0.21
MLOGP
-0.19
XLogP3
0.3
Consensus LogP
-0.03
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-0.68
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.61
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
(R)-5-(HYDROXYMETHYL)-3-METHYLOXAZOLIDIN-2-ONE
- CAS RN: 637343-86-3
- Product Code: SSC-173491
-
-
-
-
