CAS RN: 1200447-00-2
L-LYSINE 2HCL (U-13C6, 15N2)
Product Availability
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2 package records1 with current stock2 grade groups
- Product code: starshine_CAS1200447-00-2
- Purity/Analytical Methods: >99.0%
1200447-00-2 / (2S)-2,6-bis(15N)(azanyl)(1,2,3,4,5,6-13C6)hexanoic acid;hydrochloride
L-Lysine-13C6,15N2 hydrochloride | L-Lysine-13C6,15N2 (hydrochloride) | orb2299640
Basic Information
CAS
1200447-00-2
Multi CAS
Yes
Molecular Formula
C6H15ClN2O2
Molecular Weight
190.590000
Exact Mass
190.096404
SMILES
[13CH2]([13CH2][13CH2][15NH2])[13CH2][13C@@H]([13C](=O)O)[15NH2].Cl
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/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1;
InChIKey
BVHLGVCQOALMSV-GSMNGUNQSA-N
Synonyms
L-Lysine-13C6,15N2 hydrochloride
L-Lysine-13C6,15N2 (hydrochloride)
orb2299640
SCHEMBL30074240
HY-N0470S3
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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