CAS RN: 89648-37-3

HEPPSO sodium

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5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251110 100g Out of stock Inquiry
Batchno.20260529 10g Out of stock Inquiry
Batchno.20250323 1g In stock Shenzhen, Tianjin Inquiry
Batchno.20250323 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shandong, Shanghai, Hebei Inquiry
Batchno.20260206 25g Out of stock Inquiry
  • Product code: starshine_CAS89648-37-3
  • Purity/Analytical Methods: >99.0%
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89648-37-3 / sodium 2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonate

Standard CAS: 89648-37-3 Multi CAS: Yes

Basic Information

CAS
89648-37-3
Multi CAS
Yes
Molecular Formula
C9H19N2NAO5S
Molecular Weight
290.310000
Exact Mass
290.091237
InChI
InChI=1S/C9H20N2O5S.Na/c1-8(13)9(17(14,15)16)11-4-2-10(3-5-11)6-7-12;/h8-9,12-13H,2-7H2,1H3,(H,14,15,16);/q;+1/p-1
InChIKey
JKPPLRCAXJSWBR-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
2
Molar refractivity
60.54
TPSA
104.14

LogP / Solubility

WLOGP
-5.49
MLOGP
-4.82
XLogP3
-5.49
Consensus LogP
-5.27
Log S (ESOL)
2.22
Class (ESOL)
Highly soluble
Log S (Ali)
2.03
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.29
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)
-8.39

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
2

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