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CAS 74785-96-9 methyl 3-methyloxolane-3-carboxylate molecular structure lightbox
CAS RN: 74785-96-9

methyl 3-methyloxolane-3-carboxylate

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Batchno.20251129 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS74785-96-9
  • Purity/Analytical Methods: >99.0%
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74785-96-9 / methyl 3-methyloxolane-3-carboxylate

Standard CAS: 74785-96-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
74785-96-9
Multi CAS
Yes
Molecular Formula
C7H12O3
Molecular Weight
144.170000
Exact Mass
144.078644
InChI
InChI=1S/C7H12O3/c1-7(6(8)9-2)3-4-10-5-7/h3-5H2,1-2H3
InChIKey
OLEJMBKZVNRMOF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
35.56
TPSA
35.53

LogP / Solubility

WLOGP
0.59
MLOGP
0.51
XLogP3
0.4
Consensus LogP
0.5
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
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)
-3.18

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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