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CAS 3965-55-7 Sodium Dimethyl 5-Sulfoisophthalate molecular structure lightbox
CAS RN: 3965-55-7

Sodium Dimethyl 5-Sulfoisophthalate

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250505 100g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260423 1kg Out of stock Inquiry
Batchno.20250212 25g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250312 25g / 100g / 500g / 2.5kg / 10kg Confirm by inquiry Shanghai, Shandong, Hebei, Chongqing Inquiry
Batchno.20260407 500g In stock Shanghai Inquiry
  • Product code: SSC-147359
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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: 1000g
  • 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 3965-55-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1000g ＞97% 0 Out of Stock Shanghai Inquiry

3965-55-7 / sodium 3,5-bis(methoxycarbonyl)benzenesulfonate

Standard CAS: 3965-55-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3965-55-7
Multi CAS
Yes
Molecular Formula
C10H9NAO7S
Molecular Weight
296.230000
Exact Mass
295.996668
InChI
InChI=1S/C10H10O7S.Na/c1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15;/h3-5H,1-2H3,(H,13,14,15);/q;+1/p-1
InChIKey
LLHSEQCZSNZLRI-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
7
Molar refractivity
57.08
TPSA
109.8

LogP / Solubility

WLOGP
-2.83
MLOGP
-2.48
XLogP3
-2.83
Consensus LogP
-2.71
Log S (ESOL)
0.07
Class (ESOL)
Highly soluble
Log S (Ali)
0.06
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.41
Class (SILICOS-IT)
Highly 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)
-6.54

Drug-likeness / Medicinal Chemistry

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

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