CAS RN: 199926-21-1
L-Lysine hydrate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250120 | 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS199926-21-1
- Purity/Analytical Methods: >99.0%
199926-21-1 / (2S)-2,6-diaminohexanoic acid;hydrate
Basic Information
CAS
199926-21-1
Multi CAS
No
Molecular Formula
C6H16N2O3
Molecular Weight
164.200000
Exact Mass
164.116092
SMILES
C(CCN)C[C@@H](C(=O)O)N.O
InChI
InChI=1S/C6H14N2O2.H2O/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H2/t5-;/m0./s1
InChIKey
HZRUTVAFDWTKGD-JEDNCBNOSA-N
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
42.13
TPSA
120.84
LogP / Solubility
WLOGP
-1.3
MLOGP
-1.15
XLogP3
-1.3
Consensus LogP
-1.25
Log S (ESOL)
0.29
Class (ESOL)
Highly soluble
Log S (Ali)
0.03
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
-0.25
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.64
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
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
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