![CAS 10010-67-0 Piperazine-1,4-bis(2-ethanesulfonic Acid) Monosodium Salt [Good’s buffer component for biological research] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/p0875-jpgcontextbwfzdgvyfhjvb3r8ndqxmzz8aw1hz2uvanblz3xommqvagrjlzg5mze5ntc3mzu0ntqvuda4nzuuanbnfgqzzwy1n2uymwjlmdlinzzjn2qwnjaxndhlyte2mtg5zwfmntcwztuynge3yjfjnmviotc5n2nhnmqxnzfkmtu.jpeg)
CAS RN: 10010-67-0
Piperazine-1,4-bis(2-ethanesulfonic Acid) Monosodium Salt [Good’s buffer component for biological research]
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: ICTP0875
- Purity/Analytical Methods: >99.0%(T)
10010-67-0 / sodium 2-[4-(2-sulfoethyl)piperazin-1-yl]ethanesulfonate
10010-67-0 | PIPES monosodium salt | 1,4-Piperazinediethanesulfonic acid, monosodium salt
Basic Information
CAS
10010-67-0
Multi CAS
Yes
Molecular Formula
C8H17N2NaO6S2
Molecular Weight
324.400000
Exact Mass
324.042573
SMILES
C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C8H18N2O6S2.Na/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16;/h1-8H2,(H,11,12,13)(H,14,15,16);/q;+1/p-1
InChIKey
OGGAIRCLBMGXCZ-UHFFFAOYSA-M
Synonyms
10010-67-0
PIPES monosodium salt
1,4-Piperazinediethanesulfonic acid, monosodium salt
PIPES monosodium
PIPES sodium salt
Physical Properties
Physical Description
Solid; [Merck Index] Powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
1
Molar refractivity
63.86
TPSA
118.05
LogP / Solubility
WLOGP
-4.96
MLOGP
-4.35
XLogP3
-4.96
Consensus LogP
-4.76
Log S (ESOL)
1.67
Class (ESOL)
Highly soluble
Log S (Ali)
1.36
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.63
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)
-8.22
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
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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