CAS RN: 40719-58-2
H-LYS-GLY-OH HCL
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS40719-58-2
- Purity/Analytical Methods: >99.0%
40719-58-2 / 2-[[(2S)-2,6-diaminohexanoyl]amino]acetic acid;hydrochloride
Basic Information
CAS
40719-58-2
Multi CAS
Yes
Molecular Formula
C8H18CLN3O3
Molecular Weight
239.700000
Exact Mass
239.103669
InChI
InChI=1S/C8H17N3O3.ClH/c9-4-2-1-3-6(10)8(14)11-5-7(12)13;/h6H,1-5,9-10H2,(H,11,14)(H,12,13);1H/t6-;/m0./s1
InChIKey
DNTASJHHUSNMTJ-RGMNGODLSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.75
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
4
Molar refractivity
58.77
TPSA
118.44
LogP / Solubility
WLOGP
-0.93
MLOGP
-0.82
XLogP3
-0.93
Consensus LogP
-0.89
Log S (ESOL)
-0.28
Class (ESOL)
Very soluble
Log S (Ali)
-0.85
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.28
Class (SILICOS-IT)
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)
-4.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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