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CAS 1246819-49-7 ε-Aminocaproic Acid-d10 Hydrochloride molecular structure lightbox
CAS RN: 1246819-49-7

ε-Aminocaproic Acid-d10 Hydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260423 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1246819-49-7
  • Purity/Analytical Methods: >99.0%
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1246819-49-7 / 6-amino-2,2,3,3,4,4,5,5,6,6-decadeuteriohexanoic acid;hydrochloride

Standard CAS: 1246819-49-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1246819-49-7
Multi CAS
No
Molecular Formula
C6H14ClNO2
Molecular Weight
177.690000
Exact Mass
177.134074
SMILES
[2H]C([2H])(C(=O)O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])N.Cl
InChI
InChI=1S/C6H13NO2.ClH/c7-5-3-1-2-4-6(8)9;/h1-5,7H2,(H,8,9);1H/i1D2,2D2,3D2,4D2,5D2;
InChIKey
AENOKLOQCCSDAZ-QXHYUYGDSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.41
TPSA
63.32

LogP / Solubility

WLOGP
1.01
MLOGP
0.89
XLogP3
1.01
Consensus LogP
0.97
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately 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)
-3.02

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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