CAS RN: 24828-95-3

Z-LYS(BOC)-NH2

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  • Product code: starshine_CAS24828-95-3
  • Purity/Analytical Methods: >99.0%
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24828-95-3 / benzyl N-[1-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate

Standard CAS: 24828-95-3 Multi CAS: No

Basic Information

CAS
24828-95-3
Multi CAS
No
Molecular Formula
C19H29N3O5
Molecular Weight
379.500000
Exact Mass
379.210721
SMILES
CC(C)(C)OC(=O)NCCCCC(C(=O)N)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C19H29N3O5/c1-19(2,3)27-17(24)21-12-8-7-11-15(16(20)23)22-18(25)26-13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H2,20,23)(H,21,24)(H,22,25)
InChIKey
NRIVYVKAKANCDC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
3
Molar refractivity
100.83
TPSA
119.75

LogP / Solubility

WLOGP
2.46
MLOGP
2.19
XLogP3
2.2
Consensus LogP
2.28
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.25
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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