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CAS 7234-49-3 Sodium 6-aminohexanoate molecular structure lightbox
CAS RN: 7234-49-3

Sodium 6-aminohexanoate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250208 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS7234-49-3
  • Purity/Analytical Methods: >99.0%
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7234-49-3 / sodium 6-aminohexanoate

Standard CAS: 7234-49-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7234-49-3
Multi CAS
Yes
Molecular Formula
C6H12NNAO2
Molecular Weight
153.150000
Exact Mass
153.076573
InChI
InChI=1S/C6H13NO2.Na/c7-5-3-1-2-4-6(8)9;/h1-5,7H2,(H,8,9);/q;+1/p-1
InChIKey
CLUHWBURHNNGPK-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
32.53
TPSA
66.15

LogP / Solubility

WLOGP
-3.74
MLOGP
-3.3
XLogP3
-3.74
Consensus LogP
-3.59
Log S (ESOL)
1.9
Class (ESOL)
Highly soluble
Log S (Ali)
1.88
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.85
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)
-6.31

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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