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CAS 2014-58-6 6-(6-Aminohexanamido)hexanoic acid molecular structure lightbox
CAS RN: 2014-58-6

6-(6-Aminohexanamido)hexanoic acid

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260124 100mg In stock Inquiry
Batchno.20260203 1g Out of stock Inquiry
Batchno.20251017 250mg In stock Inquiry
Batchno.20251031 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251229 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: LINA891008
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2014-58-6 / 6-(6-aminohexanoylamino)hexanoic acid

Standard CAS: 2014-58-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
2014-58-6
Multi CAS
No
Molecular Formula
C12H24N2O3
Molecular Weight
244.330000
Exact Mass
244.178693
SMILES
C(CCC(=O)NCCCCCC(=O)O)CCN
InChI
InChI=1S/C12H24N2O3/c13-9-5-1-3-7-11(15)14-10-6-2-4-8-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)
InChIKey
IWENLYKHSZCPRD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
11
H-bond acceptors
3
H-bond donors
3
Molar refractivity
66.64
TPSA
92.42

LogP / Solubility

WLOGP
1.27
MLOGP
1.12
XLogP3
-2.1
Consensus LogP
0.1
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.62
Class (SILICOS-IT)
Poorly 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)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
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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