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CAS 37043-68-8 5-aminopentanesulfonic acid molecular structure lightbox
CAS RN: 37043-68-8

5-aminopentanesulfonic acid

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260330 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS37043-68-8
  • Purity/Analytical Methods: >99.0%
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37043-68-8 / 5-aminopentane-1-sulfonic acid

Standard CAS: 37043-68-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
37043-68-8
Multi CAS
Yes
Molecular Formula
C5H13NO3S
Molecular Weight
167.230000
Exact Mass
167.061614
InChI
InChI=1S/C5H13NO3S/c6-4-2-1-3-5-10(7,8)9/h1-6H2,(H,7,8,9)
InChIKey
NJVWBSNUDITJDJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
39.32
TPSA
80.39

LogP / Solubility

XLogP3
-3
Consensus LogP
-1
Log S (ESOL)
-0.55
Class (ESOL)
Very soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.35
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-3.74

Drug-likeness / Medicinal Chemistry

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

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