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CAS 50912-92-0 H-D-ARG(NO2)-OME HCL molecular structure lightbox
CAS RN: 50912-92-0

H-D-ARG(NO2)-OME HCL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250824 1g / 5g / 10g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS50912-92-0
  • Purity/Analytical Methods: >99.0%
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50912-92-0 / methyl (2R)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoate;hydrochloride

Standard CAS: 50912-92-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
50912-92-0
Multi CAS
Yes
Molecular Formula
C7H16CLN5O4
Molecular Weight
269.690000
Exact Mass
269.089082
InChI
InChI=1S/C7H15N5O4.ClH/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15;/h5H,2-4,8H2,1H3,(H3,9,10,11);1H/t5-;/m1./s1
InChIKey
QBNXAGZYLSRPJK-NUBCRITNSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.71
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
3
Molar refractivity
63.09
TPSA
145.87

LogP / Solubility

WLOGP
-1.22
MLOGP
-1.06
XLogP3
-1.22
Consensus LogP
-1.17
Log S (ESOL)
-0.35
Class (ESOL)
Very soluble
Log S (Ali)
-0.89
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.12
Class (SILICOS-IT)
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)
-5.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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