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CAS 139-88-8 NIAPROOF TYPE 4 molecular structure lightbox
CAS RN: 139-88-8

NIAPROOF TYPE 4

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260316 1g In stock Shandong, Guangdong Inquiry
Batchno.20260325 5g In stock Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250421 1g In stock Shanghai, Hebei Inquiry
Batchno.20260218 250mg In stock Shanghai Inquiry
  • Product code: SSC-049146
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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: ≥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 139-88-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

139-88-8 / sodium (7-ethyl-2-methylundecan-4-yl) sulfate

Standard CAS: 139-88-8 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
139-88-8
Multi CAS
No
Molecular Formula
C14H29NaO4S
Molecular Weight
316.430000
Exact Mass
316.168425
SMILES
CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C14H30O4S.Na/c1-5-7-8-13(6-2)9-10-14(11-12(3)4)18-19(15,16)17;/h12-14H,5-11H2,1-4H3,(H,15,16,17);/q;+1/p-1
InChIKey
FVEFRICMTUKAML-UHFFFAOYSA-M

Physical Properties

Physical Description
White waxy solid; [Merck Index] 26-28% Aqueous solution: Light yellow liquid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
11
H-bond acceptors
4
Molar refractivity
76.57
TPSA
66.43

LogP / Solubility

WLOGP
0.88
MLOGP
0.79
XLogP3
0.88
Consensus LogP
0.85
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.03

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

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H302 (70.5%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal] H312 (17.9%): Harmful in contact with skin [Warning Acute toxicity, dermal] H314 (69.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (29.5%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P260, P262, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P361+P364, P362+P364, P363, P405, and P501

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