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CAS 66036-77-9 N’-Nitro-D-arginine molecular structure lightbox
CAS RN: 66036-77-9

N’-Nitro-D-arginine

  • Product code: SSC-175670
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 66036-77-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >95% 0 Out of Stock Hong Kong Inquiry

66036-77-9 / 2-amino-5-[[amino(nitramido)methylidene]amino]pentanoic acid

Standard CAS: 66036-77-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66036-77-9
Multi CAS
Yes
Molecular Formula
C6H13N5O4
Molecular Weight
219.200000
Exact Mass
219.096754
InChI
InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m1/s1
InChIKey
MRAUNPAHJZDYCK-SCSAIBSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
4
Molar refractivity
51.46
TPSA
156.87

LogP / Solubility

WLOGP
-1.73
MLOGP
-1.52
XLogP3
-3.6
Consensus LogP
-2.28
Log S (ESOL)
0.28
Class (ESOL)
Highly soluble
Log S (Ali)
-0.11
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.37
Class (SILICOS-IT)
Very 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)
-5.28

Drug-likeness / Medicinal Chemistry

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

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