CAS RN: 344298-93-7
L-LYSINE-3,3,4,4,5,5,6,6-D8 HCL
Product Availability
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS344298-93-7
- Purity/Analytical Methods: >99.0%
344298-93-7 / 2,6-diaminohexanoic acid;hydrochloride
Basic Information
CAS
344298-93-7
Multi CAS
Yes
Molecular Formula
C6H15CLN2O2
Molecular Weight
182.650000
Exact Mass
182.082205
InChI
InChI=1S/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1/i1D2,2D2,3D2,4D2;
InChIKey
BVHLGVCQOALMSV-RLIARQKESA-N
Physical Properties
Physical Description
Solid; [Merck Index] White powder;
White powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
45.76
TPSA
89.34
LogP / Solubility
WLOGP
-0.05
MLOGP
-0.05
XLogP3
-0.05
Consensus LogP
-0.05
Log S (ESOL)
-0.61
Class (ESOL)
Very soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
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)
-3.87
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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