CAS RN: 84-81-1
VITAMIN K2
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250820 | 1mg / 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai, Shandong, Guangdong | Inquiry |
- Product code: LINV888205
84-81-1 / 2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-3-methylnaphthalene-1,4-dione
Basic Information
CAS
84-81-1
Multi CAS
Yes
Molecular Formula
C41H56O2
Molecular Weight
580.900000
Exact Mass
580.428031
InChI
InChI=1S/C41H56O2/c1-30(2)16-11-17-31(3)18-12-19-32(4)20-13-21-33(5)22-14-23-34(6)24-15-25-35(7)28-29-37-36(8)40(42)38-26-9-10-27-39(38)41(37)43/h9-10,16,18,20,22,24,26-28H,11-15,17,19,21,23,25,29H2,1-8H3/b31-18+,32-20+,33-22+,34-24+,35-28+
InChIKey
PFRQBZFETXBLTP-RCIYGOBDSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
17
H-bond acceptors
2
Molar refractivity
186.81
TPSA
34.14
LogP / Solubility
WLOGP
12.37
MLOGP
10.93
XLogP3
12.6
Consensus LogP
11.97
Log S (ESOL)
-10.22
Class (ESOL)
Insoluble
Log S (Ali)
-13.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.74
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)
2.52
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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