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CAS 4830-05-1 3,3-DIMETHYL-TETRAHYDRO-PYRAN-2-ONE molecular structure lightbox
CAS RN: 4830-05-1

3,3-DIMETHYL-TETRAHYDRO-PYRAN-2-ONE

  • Product code: SSC-155174
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 4830-05-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

4830-05-1 / 3,3-dimethyloxan-2-one

Standard CAS: 4830-05-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4830-05-1
Multi CAS
Yes
Molecular Formula
C7H12O2
Molecular Weight
128.170000
Exact Mass
128.083730
InChI
InChI=1S/C7H12O2/c1-7(2)4-3-5-9-6(7)8/h3-5H2,1-2H3
InChIKey
CJNWCYZELLHABH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.86
H-bond acceptors
2
Molar refractivity
33.97
TPSA
26.3

LogP / Solubility

WLOGP
1.35
MLOGP
1.18
XLogP3
1.5
Consensus LogP
1.34
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
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)
-2.54

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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