CAS RN: 129201-92-9
METHYL 5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLATE
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.20260309 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS129201-92-9
- Purity/Analytical Methods: >99.0%
129201-92-9 / methyl 3,4-dihydro-2H-pyran-6-carboxylate
Basic Information
CAS
129201-92-9
Multi CAS
No
Molecular Formula
C7H10O3
Molecular Weight
142.150000
Exact Mass
142.062994
SMILES
COC(=O)C1=CCCCO1
InChI
InChI=1S/C7H10O3/c1-9-7(8)6-4-2-3-5-10-6/h4H,2-3,5H2,1H3
InChIKey
VMRNOXLRRZQVNX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
35.28
TPSA
35.53
LogP / Solubility
WLOGP
0.85
MLOGP
0.74
XLogP3
1.2
Consensus LogP
0.93
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
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)
-2.98
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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