CAS RN: 34046-07-6

Z-N-(N-BETA-BOC-AMINOETHYL)-GLY-OH

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  • Product code: starshine_CAS34046-07-6
  • Purity/Analytical Methods: >99.0%
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34046-07-6 / 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-phenylmethoxycarbonylamino]acetic acid

Standard CAS: 34046-07-6 Multi CAS: No

Basic Information

CAS
34046-07-6
Multi CAS
No
Molecular Formula
C17H24N2O6
Molecular Weight
352.400000
Exact Mass
352.163436
InChI
InChI=1S/C17H24N2O6/c1-17(2,3)25-15(22)18-9-10-19(11-14(20)21)16(23)24-12-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,18,22)(H,20,21)
InChIKey
LHHFRSUKEDBJFS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
90.07
TPSA
105.17

LogP / Solubility

WLOGP
2.23
MLOGP
1.98
XLogP3
1.9
Consensus LogP
2.04
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
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)
-3.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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