CAS RN: 115724-21-5
MOBS
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260308 | 200mg / 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS115724-21-5
- Purity/Analytical Methods: >99.0%
115724-21-5 / 4-morpholin-4-ylbutane-1-sulfonic acid
MOBS | 4-Morpholinobutane-1-sulfonic acid | 4-Morpholinebutanesulfonic acid
Basic Information
CAS
115724-21-5
Multi CAS
No
Molecular Formula
C8H17NO4S
Molecular Weight
223.290000
Exact Mass
223.087829
SMILES
C1COCCN1CCCCS(=O)(=O)O
InChI
InChI=1S/C8H17NO4S/c10-14(11,12)8-2-1-3-9-4-6-13-7-5-9/h1-8H2,(H,10,11,12)
InChIKey
VTOWJTPBPWTSMK-UHFFFAOYSA-N
Synonyms
MOBS
4-Morpholinobutane-1-sulfonic acid
4-Morpholinebutanesulfonic acid
4-morpholin-4-ylbutane-1-sulfonic Acid
4-(MORPHOLIN-4-YL)BUTANE-1-SULFONIC ACID
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.91
TPSA
66.84
LogP / Solubility
WLOGP
-0.01
MLOGP
-0.01
XLogP3
-2.8
Consensus LogP
-0.94
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
Class (SILICOS-IT)
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)
-4.09
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 (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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