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CAS 68506-86-5 (±)-4-aminohex-5-enoic acid molecular structure lightbox
CAS RN: 68506-86-5

(±)-4-aminohex-5-enoic acid

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250122 1ml Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260308 10mg In stock Shanghai, Guangdong Inquiry
Batchno.20250815 5mg In stock Shanghai, Shandong, Hebei Inquiry
  • Product code: starshine_CAS68506-86-5
  • Purity/Analytical Methods: >99.0%
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68506-86-5 / 4-aminohex-5-enoic acid

Standard CAS: 68506-86-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
68506-86-5
Multi CAS
Yes
Molecular Formula
C6H11NO2
Molecular Weight
129.160000
Exact Mass
129.078979
InChI
InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)
InChIKey
PJDFLNIOAUIZSL-UHFFFAOYSA-N

Physical Properties

Melting Point
171-176C 209 °C
Physical Description
Solid
Appearance
Crystals from acetone/water White to off-white powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.04
TPSA
63.32

LogP / Solubility

WLOGP
0.36
MLOGP
0.31
XLogP3
-2.2
Consensus LogP
-0.51
Log S (ESOL)
-0.61
Class (ESOL)
Very soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.28
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)
-3.25

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
2

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