CAS RN: 1365939-36-1
5-Ethoxy-1-methyl-1H-pyrazole-4-carboxylic acid
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.20250528 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1365939-36-1
- Purity/Analytical Methods: >99.0%
1365939-36-1 / 5-ethoxy-1-methylpyrazole-4-carboxylic acid
Basic Information
CAS
1365939-36-1
Multi CAS
No
Molecular Formula
C7H10N2O3
Molecular Weight
170.170000
Exact Mass
170.069142
SMILES
CCOC1=C(C=NN1C)C(=O)O
InChI
InChI=1S/C7H10N2O3/c1-3-12-6-5(7(10)11)4-8-9(6)2/h4H,3H2,1-2H3,(H,10,11)
InChIKey
WGTLSYLJSFTANC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
41.34
TPSA
64.35
LogP / Solubility
WLOGP
0.52
MLOGP
0.45
XLogP3
0.4
Consensus LogP
0.46
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
Class (SILICOS-IT)
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)
-3.39
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
-
-
1H-1,2,4-Triazol-5-amine, 3-bromo-1-methyl-
- CAS RN: 1365957-74-9
- Product Code: SSC-045627
-
2-methylimidazo[1,2-a]pyridine-7-carboxylic acid hydrochloride
- CAS RN: 1365964-78-8
- Product Code: SSC-045630
-
2,2-dimethyl-5-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-one
- CAS RN: 1365965-22-5
- Product Code: SSC-045631
-
1-(Pyrimidin-2-yl)azetidin-3-amine dihydrochloride
- CAS RN: 1365968-57-5
- Product Code: SSC-045632
-
.gif)
![CAS 1365964-78-8 2-methylimidazo[1,2-a]pyridine-7-carboxylic acid hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1365964-78-8.gif)
.gif)
