CAS RN: 55297-72-8

BOC-D-GLU-NH2

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Batchno.20250423 500mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS55297-72-8
  • Purity/Analytical Methods: >99.0%
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55297-72-8 / (4R)-5-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid

Standard CAS: 55297-72-8 Multi CAS: Yes

Basic Information

CAS
55297-72-8
Multi CAS
Yes
Molecular Formula
C10H18N2O5
Molecular Weight
246.260000
Exact Mass
246.121572
InChI
InChI=1S/C10H18N2O5/c1-10(2,3)17-9(16)12-6(8(11)15)4-5-7(13)14/h6H,4-5H2,1-3H3,(H2,11,15)(H,12,16)(H,13,14)/t6-/m1/s1
InChIKey
GMZBDBBBJXGPIH-ZCFIWIBFSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.7
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
59.22
TPSA
118.72

LogP / Solubility

WLOGP
0.23
MLOGP
0.21
XLogP3
-1.1
Consensus LogP
-0.22
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-4.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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