CAS RN: 1934279-33-0
methyl 3-hydroxy-5,5-dimethyloxolane-3-carboxylate
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250815 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINM927224
1934279-33-0 / methyl 3-hydroxy-5,5-dimethyloxolane-3-carboxylate
Basic Information
CAS
1934279-33-0
Multi CAS
No
Molecular Formula
C8H14O4
Molecular Weight
174.190000
Exact Mass
174.089209
SMILES
CC1(CC(CO1)(C(=O)OC)O)C
InChI
InChI=1S/C8H14O4/c1-7(2)4-8(10,5-12-7)6(9)11-3/h10H,4-5H2,1-3H3
InChIKey
VLNFIRPTROFZCJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
41.61
TPSA
55.76
LogP / Solubility
WLOGP
0.09
MLOGP
0.08
XLogP3
-0.1
Consensus LogP
0.02
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.99
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)
-3.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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