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CAS 7139-89-1 Para-phenylene-di-amine-2,5-disulphonic acid molecular structure lightbox
CAS RN: 7139-89-1

Para-phenylene-di-amine-2,5-disulphonic acid

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251201 100mg In stock Shanghai Inquiry
Batchno.20260224 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250414 250mg In stock Shanghai Inquiry
Batchno.20250427 25g In stock Shanghai Inquiry
Batchno.20260419 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-180991
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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 7139-89-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

7139-89-1 / 2,5-diaminobenzene-1,4-disulfonic acid

Standard CAS: 7139-89-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7139-89-1
Multi CAS
Yes
Molecular Formula
C6H8N2O6S2
Molecular Weight
268.300000
Exact Mass
267.982378
InChI
InChI=1S/C6H8N2O6S2/c7-3-1-5(15(9,10)11)4(8)2-6(3)16(12,13)14/h1-2H,7-8H2,(H,9,10,11)(H,12,13,14)
InChIKey
VOPSFYWMOIKYEM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
4
Molar refractivity
54.9
TPSA
160.78

LogP / Solubility

WLOGP
-0.66
MLOGP
-0.57
XLogP3
-0.8
Consensus LogP
-0.68
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.1
Class (SILICOS-IT)
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)
-4.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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