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CAS 1585-40-6 Benzenepentacarboxylic Acid molecular structure lightbox
CAS RN: 1585-40-6

Benzenepentacarboxylic Acid

Product Availability

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260701 1g In stock Inquiry
Batchno.20260312 250mg In stock Inquiry
Batchno.20260620 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250922 100mg In stock Shanghai Inquiry
Batchno.20250208 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250306 250mg In stock Shanghai Inquiry
Batchno.20260117 5g In stock Shanghai Inquiry
  • Product code: SSC-066847
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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: 1g
  • 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 1585-40-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1585-40-6 / benzene-1,2,3,4,5-pentacarboxylic acid

Standard CAS: 1585-40-6 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1585-40-6
Multi CAS
No
Molecular Formula
C11H6O10
Molecular Weight
298.160000
Exact Mass
297.996096
SMILES
C1=C(C(=C(C(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C11H6O10/c12-7(13)2-1-3(8(14)15)5(10(18)19)6(11(20)21)4(2)9(16)17/h1H,(H,12,13)(H,14,15)(H,16,17)(H,18,19)(H,20,21)
InChIKey
QNSOHXTZPUMONC-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
5
Molar refractivity
61.24
TPSA
186.5

LogP / Solubility

WLOGP
0.18
MLOGP
0.17
XLogP3
-0.4
Consensus LogP
-0.02
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
Class (SILICOS-IT)
Moderately 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)
-4.41

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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