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CAS 1823379-00-5 8-Methoxy-1-oxaspiro[4.5]decane-2,4-dione, 97%(HPLC) molecular structure lightbox
CAS RN: 1823379-00-5

8-Methoxy-1-oxaspiro[4.5]decane-2,4-dione, 97%(HPLC)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260408 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINM927214
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1823379-00-5 / 8-methoxy-1-oxaspiro[4.5]decane-2,4-dione

Standard CAS: 1823379-00-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1823379-00-5
Multi CAS
No
Molecular Formula
C10H14O4
Molecular Weight
198.220000
Exact Mass
198.089209
SMILES
COC1CCC2(CC1)C(=O)CC(=O)O2
InChI
InChI=1S/C10H14O4/c1-13-7-2-4-10(5-3-7)8(11)6-9(12)14-10/h7H,2-6H2,1H3
InChIKey
BQEVIUWIOXKGOK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
47.71
TPSA
52.6

LogP / Solubility

WLOGP
0.83
MLOGP
0.73
XLogP3
0.8
Consensus LogP
0.79
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
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)
-3.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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