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CAS 99-49-0 CARVONE molecular structure lightbox
CAS RN: 99-49-0

CARVONE

  • Product code: SSC-212932
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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: 25g
  • 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 99-49-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

99-49-0 / 2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one

Standard CAS: 99-49-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
99-49-0
Multi CAS
Yes
Molecular Formula
C10H14O
Molecular Weight
150.220000
Exact Mass
150.104465
InChI
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3
InChIKey
ULDHMXUKGWMISQ-UHFFFAOYSA-N

Physical Properties

Melting Point
MP: 25.2 °C. Very soluble in ethanol; soluble in ether, carbon tetrachloride, chloroform /L-Carvone/ MP:
Boiling Point
230-231 °C
Physical Description
Colorless or pale yellowish liquid; [Hawley] White powder
Appearance
Pale-yellowish or colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
46.3
TPSA
17.07

LogP / Solubility

WLOGP
2.49
MLOGP
2.18
XLogP3
2.4
Consensus LogP
2.36
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately 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)
-1.87

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

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