CAS RN: 27964-99-4

D-Lysine homopolymer hydrobromide

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  • Product code: starshine_CAS27964-99-4
  • Purity/Analytical Methods: >99.0%
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27964-99-4 / (2R)-2,6-diaminohexanoic acid

Standard CAS: 27964-99-4 Multi CAS: Yes

Basic Information

CAS
27964-99-4
Multi CAS
Yes
Molecular Formula
C6H14N2O2
Molecular Weight
146.190000
Exact Mass
146.105528
InChI
InChI=1S/C6H14N2O2.BrH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m1./s1
InChIKey
MEXAGTSTSPYCEP-NUBCRITNSA-N

Physical Properties

Melting Point
218.00 °C. @ 760.00 mm Hg
Boiling Point
310.00 to 312.00 °C. @ 760.00 mm Hg
Physical Description
White powder; Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
38.52
TPSA
89.34

LogP / Solubility

WLOGP
-0.47
MLOGP
-0.42
XLogP3
-3
Consensus LogP
-1.3
Log S (ESOL)
-0.12
Class (ESOL)
Very soluble
Log S (Ali)
-0.42
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.82
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)
-3.95

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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