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CAS 459836-30-7 PEAQX TETRASODIUM HYDRATE molecular structure lightbox
CAS RN: 459836-30-7

PEAQX TETRASODIUM HYDRATE

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250406 25mg / 100mg / 250mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260207 100mg In stock Shanghai Inquiry
Batchno.20260530 10mg In stock Shanghai Inquiry
Batchno.20260212 25mg In stock Shanghai Inquiry
Batchno.20250822 50mg In stock Shanghai Inquiry
Batchno.20250716 5mg In stock Shanghai Inquiry
  • Product code: SSC-153566
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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: 0.1g
  • 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 459836-30-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

459836-30-7 / tetrasodium;5-[[[(1R)-1-(4-bromophenyl)ethyl]amino]-phosphonatomethyl]-1,4-dihydroquinoxaline-2,3-dione;5-[[[(1S)-1-(4-bromophenyl)ethyl]amino]-phosphonatomethyl]-1,4-dihydroquinoxaline-2,3-dione;hydrate

Standard CAS: 459836-30-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
459836-30-7
Multi CAS
Yes
Molecular Formula
C34H32BR2N6NA4O11P2
Molecular Weight
1014.400000
Exact Mass
1013.954130
InChI
InChI=1S/C17H17BrN3O5P/c1-9(10-5-7-11(18)8-6-10)19-17(27(24,25)26)12-3-2-4-13-14(12)21-16(23)15(22)20-13/h2-9,17,19H,1H3,(H,20,22)(H,21,23)(H2,24,25,26)/t9-,17?/m0/s1
InChIKey
XXZGNAZRWCBSBK-WFVOFKTRSA-N

Computed Properties

Structural Parameters

Heavy atom count
59
Aromatic heavy atom count
32
Fraction Csp3
0.18
Rotatable bonds
10
H-bond acceptors
12
H-bond donors
6
Molar refractivity
206.07
TPSA
313.38

LogP / Solubility

WLOGP
-10.32
MLOGP
-8.99
XLogP3
-10.32
Consensus LogP
-9.88
Log S (ESOL)
0.63
Class (ESOL)
Highly soluble
Log S (Ali)
-0.42
Class (Ali)
Very soluble
Log S (SILICOS-IT)
1.12
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-16.24

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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