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CAS 878143-03-4 Phosphonic acid, [(3E)-1-[(2E)-3,7-dimethyl-2,6-octadienyl]-4,8-dimethyl-3,7-nonadienylidene]bis-, tetrasodium salt molecular structure lightbox
CAS RN: 878143-03-4

Phosphonic acid, [(3E)-1-[(2E)-3,7-dimethyl-2,6-octadienyl]-4,8-dimethyl-3,7-nonadienylidene]bis-, tetrasodium salt

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260529 10mg In stock Shanghai Inquiry
Batchno.20250408 1mg In stock Shanghai Inquiry
Batchno.20260301 25mg In stock Shanghai Inquiry
Batchno.20250516 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS878143-03-4
  • Purity/Analytical Methods: >99.0%
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878143-03-4 / tetrasodium;dioxido-oxo-[(6E,11E)-2,6,12,16-tetramethyl-9-phosphonatoheptadeca-2,6,11,15-tetraen-9-yl]-lambda5-phosphane

Standard CAS: 878143-03-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
878143-03-4
Multi CAS
Yes
Molecular Formula
C21H34NA4O6P2
Molecular Weight
536.400000
Exact Mass
536.142140
InChI
InChI=1S/C21H38O6P2.4Na/c1-17(2)9-7-11-19(5)13-15-21(28(22,23)24,29(25,26)27)16-14-20(6)12-8-10-18(3)4;;;;/h9-10,13-14H,7-8,11-12,15-16H2,1-6H3,(H2,22,23,24)(H2,25,26,27);;;;/q;4*+1/p-4/b19-13+,20-14+;;;;
InChIKey
MPGGMSSLQRFXRP-DRLFUFNGSA-J

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.62
Rotatable bonds
12
H-bond acceptors
6
Molar refractivity
112.02
TPSA
126.38

LogP / Solubility

WLOGP
-8.31
MLOGP
-7.27
XLogP3
-8.31
Consensus LogP
-7.96
Log S (ESOL)
2.86
Class (ESOL)
Highly soluble
Log S (Ali)
2.04
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.31
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-11.89

Drug-likeness / Medicinal Chemistry

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

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