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CAS 168555-66-6 Combretastatin A4 Phosphate Disodium Salt molecular structure lightbox
CAS RN: 168555-66-6

Combretastatin A4 Phosphate Disodium Salt

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250215 1ml Out of stock 8-10 business days Inquiry
  • Product code: SSC-073438
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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
  • Available purity: ≥98%
  • 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 168555-66-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥98% 0 Out of Stock Hong Kong Inquiry

168555-66-6 / disodium;[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate

Standard CAS: 168555-66-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
168555-66-6
Multi CAS
No
Molecular Formula
C18H19Na2O8P
Molecular Weight
440.300000
Exact Mass
440.061293
SMILES
COC1=C(C=C(C=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC)OP(=O)([O-])[O-].[Na+].[Na+]
InChI
InChI=1S/C18H21O8P.2Na/c1-22-14-8-7-12(9-15(14)26-27(19,20)21)5-6-13-10-16(23-2)18(25-4)17(11-13)24-3;;/h5-11H,1-4H3,(H2,19,20,21);;/q;2*+1/p-2/b6-5-;;
InChIKey
VXNQMUVMEIGUJW-XNOMRPDFSA-L

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
8
H-bond acceptors
8
Molar refractivity
96.25
TPSA
109.34

LogP / Solubility

WLOGP
-3.89
MLOGP
-3.4
XLogP3
-3.89
Consensus LogP
-3.73
Log S (ESOL)
0.1
Class (ESOL)
Highly soluble
Log S (Ali)
-0.36
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.25
Class (SILICOS-IT)
Very 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)
-8.17

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
2.5

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