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CAS 2211-98-5 DODECYLBENZENE SODIUM SULFONATE molecular structure lightbox
CAS RN: 2211-98-5

DODECYLBENZENE SODIUM SULFONATE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250814 100g In stock Shanghai Inquiry
Batchno.20250828 25g In stock Shanghai Inquiry
Batchno.20250115 500g In stock Shanghai Inquiry
  • Product code: SSC-106361
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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: 10g
  • 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 2211-98-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞95% 0 Out of Stock Shenzhen Inquiry

2211-98-5 / sodium 4-dodecylbenzenesulfonate

Standard CAS: 2211-98-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2211-98-5
Multi CAS
No
Molecular Formula
C18H29NaO3S
Molecular Weight
348.500000
Exact Mass
348.173510
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C18H30O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;/h13-16H,2-12H2,1H3,(H,19,20,21);/q;+1/p-1
InChIKey
JHJUUEHSAZXEEO-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
12
H-bond acceptors
3
Molar refractivity
89.95
TPSA
57.2

LogP / Solubility

WLOGP
2.06
MLOGP
1.83
XLogP3
2.06
Consensus LogP
1.98
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.07
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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