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CAS 30431-54-0 Bis[3,4,6-trichloro-2-(pentyloxycarbonyl)phenyl] Oxalate molecular structure lightbox
CAS RN: 30431-54-0

Bis[3,4,6-trichloro-2-(pentyloxycarbonyl)phenyl] Oxalate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250323 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: SSC-134864
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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: 5g
  • Available purity: >97%
  • 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 30431-54-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Beijing Inquiry

30431-54-0 / bis(3,4,6-trichloro-2-pentoxycarbonylphenyl) oxalate

Standard CAS: 30431-54-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
30431-54-0
Multi CAS
Yes
Molecular Formula
C26H24CL6O8
Molecular Weight
677.200000
Exact Mass
675.957284
InChI
InChI=1S/C26H24Cl6O8/c1-3-5-7-9-37-23(33)17-19(31)13(27)11-15(29)21(17)39-25(35)26(36)40-22-16(30)12-14(28)20(32)18(22)24(34)38-10-8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKey
TZZLVFUOAYMTHA-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
12
H-bond acceptors
8
Molar refractivity
153.83
TPSA
105.2

LogP / Solubility

WLOGP
8.81
MLOGP
7.81
XLogP3
10.6
Consensus LogP
9.07
Log S (ESOL)
-9.02
Class (ESOL)
Insoluble
Log S (Ali)
-11.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.82
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.59

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
4

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