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CAS 103404-87-1 4-(2-Hydroxyethyl)piperazine-1-ethanesulfonic acid hemisodium salt molecular structure lightbox
CAS RN: 103404-87-1

4-(2-Hydroxyethyl)piperazine-1-ethanesulfonic acid hemisodium salt

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250802 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-004930
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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: 100g
  • 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 103404-87-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

103404-87-1 / sodium 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate

Sodium 2-(4-(2-hydroxyethyl)piperazin-1-yl)ethanesulfonate | sodium 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate | HEPES (sodium)

Standard CAS: 103404-87-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
103404-87-1
Multi CAS
Yes
Molecular Formula
C8H17N2NaO4S
Molecular Weight
260.290000
Exact Mass
260.080672
SMILES
C1CN(CCN1CCO)CCS(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C8H18N2O4S.Na/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14;/h11H,1-8H2,(H,12,13,14);/q;+1/p-1
InChIKey
RDZTWEVXRGYCFV-UHFFFAOYSA-M
Synonyms
Sodium 2-(4-(2-hydroxyethyl)piperazin-1-yl)ethanesulfonate sodium 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate HEPES (sodium) C8H17N2NaO4S 4-(2-Hydroxyethyl)piperazine-1-ethanesulfonic acid hemisodium salt

Physical Properties

Physical Description
White powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
54.53
TPSA
83.91

LogP / Solubility

WLOGP
-4.85
MLOGP
-4.26
XLogP3
-4.85
Consensus LogP
-4.65
Log S (ESOL)
1.93
Class (ESOL)
Highly soluble
Log S (Ali)
1.81
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.08
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)
-7.75

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 160 of 162 companies (only 1.2% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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