CAS RN: 1132-61-2

3-Morpholinopropanesulfonic Acid [Good’s buffer component for biological research]

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  • Product code: SSC-013380
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Verified Factory Data

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  • Pack sizes on record: 25g, 100g, 500g, 1000g, 5000g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Recorded sizes, purity and stock details for CAS 1132-61-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 5 In Stock Hong Kong Inquiry
100g >97% 5 In Stock Beijing Inquiry
500g >97% 0 Out of Stock Shanghai Inquiry
1000g >97% 0 Out of Stock Shanghai Inquiry
5000g >97% 0 Out of Stock Shenzhen Inquiry

1132-61-2 / 3-morpholin-4-ylpropane-1-sulfonic acid

MOPS | 3-Morpholinopropanesulfonic acid | 4-Morpholinepropanesulfonic acid

Standard CAS: 1132-61-2 Multi CAS: Yes

Basic Information

CAS
1132-61-2
Multi CAS
Yes
Molecular Formula
C7H15NO4S
Molecular Weight
209.270000
Exact Mass
209.072179
SMILES
C1COCCN1CCCS(=O)(=O)O
InChI
InChI=1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11)
InChIKey
DVLFYONBTKHTER-UHFFFAOYSA-N
Synonyms
MOPS 3-Morpholinopropanesulfonic acid 4-Morpholinepropanesulfonic acid 3-(N-Morpholino)propanesulfonic acid Morpholinopropane sulfonic acid

Physical Properties

Physical Description
White solid; [Merck Index] White odorless powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.29
TPSA
66.84

LogP / Solubility

WLOGP
-0.4
MLOGP
-0.35
XLogP3
-3.1
Consensus LogP
-1.28
Log S (ESOL)
-0.62
Class (ESOL)
Very soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.17
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
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)
-4.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (53.4%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (53.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (52.7%): 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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