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CAS 28968-64-1 Boc-N’-Nitro-L-homoarginine molecular structure lightbox
CAS RN: 28968-64-1

Boc-N’-Nitro-L-homoarginine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250422 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS28968-64-1
  • Purity/Analytical Methods: >99.0%
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28968-64-1 / 6-[[amino(nitramido)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

Standard CAS: 28968-64-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
28968-64-1
Multi CAS
Yes
Molecular Formula
C12H23N5O6
Molecular Weight
333.340000
Exact Mass
333.164833
InChI
InChI=1S/C12H23N5O6/c1-12(2,3)23-11(20)15-8(9(18)19)6-4-5-7-14-10(13)16-17(21)22/h8H,4-7H2,1-3H3,(H,15,20)(H,18,19)(H3,13,14,16)
InChIKey
YFIPSHDRWHZYOM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.75
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
4
Molar refractivity
81.26
TPSA
169.18

LogP / Solubility

WLOGP
0.23
MLOGP
0.22
XLogP3
0.6
Consensus LogP
0.35
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately 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)
-4.59

Drug-likeness / Medicinal Chemistry

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

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