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CAS 863-61-6 Menaquinone-4 molecular structure lightbox
CAS RN: 863-61-6

Menaquinone-4

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8 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250830 1g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250407 200mg In stock Shanghai, Shandong, Guangdong, Chongqing Inquiry
Batchno.20250719 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260408 1ml Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250927 100mg In stock Shanghai Inquiry
Batchno.20250124 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260316 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250315 5g In stock Shanghai Inquiry
  • Product code: ICTM2398
  • Purity/Analytical Methods: >98.0%(HPLC)(qNMR)
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863-61-6 / 2-methyl-3-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)naphthalene-1,4-dione

Standard CAS: 863-61-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
863-61-6
Multi CAS
Yes
Molecular Formula
C31H40O2
Molecular Weight
444.600000
Exact Mass
444.302831
InChI
InChI=1S/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3
InChIKey
DKHGMERMDICWDU-UHFFFAOYSA-N

Physical Properties

Melting Point
54 °C Yellow crystals from alcohol; MW: 444.65; MP: 35 °C; uv max: 248 nm (E(1%)(1 cm) 439) /Menaquinone 4/ Yellow crystals from acetone + alcohol or petroleum ether. MW: 580.88; MP: 50 °C; uv max (petroleum ether): 243, 248, 261, 325-328 nm (E(1%)(1 CM) 304, 320, 290, 292, 53) /Menaquinone 6/
Boiling Point
200 °C at 0.0002 mm Hg (some decomposition)
Appearance
Light yellow microcrystalline plates from petroleum ether Crystals LIGHT-YELLOW SOLIDS OR OILS
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
11
H-bond acceptors
2
Molar refractivity
140.82
TPSA
34.14

LogP / Solubility

WLOGP
8.92
MLOGP
7.88
XLogP3
8.9
Consensus LogP
8.57
Log S (ESOL)
-7.62
Class (ESOL)
Insoluble
Log S (Ali)
-9.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.27
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.9

Drug-likeness / Medicinal Chemistry

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

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