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CAS 2188-18-3 Boc-Arg(NO2)-OH molecular structure lightbox
CAS RN: 2188-18-3

Boc-Arg(NO2)-OH

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250612 100g In stock Inquiry
Batchno.20250531 25g In stock Inquiry
Batchno.20251203 5g In stock Inquiry
  • Product code: SSC-105381
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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: 100g
  • 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 2188-18-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

2188-18-3 / (2S)-5-[[amino(nitramido)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

Standard CAS: 2188-18-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2188-18-3
Multi CAS
No
Molecular Formula
C11H21N5O6
Molecular Weight
319.310000
Exact Mass
319.149183
SMILES
CC(C)(C)OC(=O)N[C@@H](CCCN=C(N)N[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C11H21N5O6/c1-11(2,3)22-10(19)14-7(8(17)18)5-4-6-13-9(12)15-16(20)21/h7H,4-6H2,1-3H3,(H,14,19)(H,17,18)(H3,12,13,15)/t7-/m0/s1
InChIKey
OZSSOVRIEPAIMP-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.73
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
4
Molar refractivity
76.65
TPSA
169.18

LogP / Solubility

WLOGP
-0.16
MLOGP
-0.13
XLogP3
0.3
Consensus LogP
0.0000
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
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)
-4.78

Drug-likeness / Medicinal Chemistry

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

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