![CAS 1211479-06-9 Methyl 1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1211479-06-9.gif)
CAS RN: 1211479-06-9
Methyl 1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylate
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251227 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1211479-06-9
- Purity/Analytical Methods: >99.0%
1211479-06-9 / methyl 1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylate
Methyl 1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylate | methyl 2,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylate | MFCD20921989
Basic Information
CAS
1211479-06-9
Multi CAS
No
Molecular Formula
C8H10N2O3
Molecular Weight
182.180000
Exact Mass
182.069142
SMILES
COC(=O)C1=NNC2=C1COCC2
InChI
InChI=1S/C8H10N2O3/c1-12-8(11)7-5-4-13-3-2-6(5)9-10-7/h2-4H2,1H3,(H,9,10)
InChIKey
ZWJXUKXNOYFBSQ-UHFFFAOYSA-N
Synonyms
Methyl 1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylate
methyl 2,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylate
MFCD20921989
methyl 1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxylate
SCHEMBL19366148
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43.29
TPSA
64.21
LogP / Solubility
WLOGP
0.27
MLOGP
0.23
XLogP3
0.1
Consensus LogP
0.2
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.19
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)
-3.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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