[email protected]
CAS 22888-56-8 2-Amino-3-(3-nitrophenyl)propanoic acid molecular structure lightbox
CAS RN: 22888-56-8

2-Amino-3-(3-nitrophenyl)propanoic acid

Product Availability

Choose a grade to view its available package options.

9 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260514 1g In stock Inquiry
Batchno.20251021 250mg In stock Inquiry
Batchno.20250507 25g In stock Inquiry
Batchno.20250321 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260428 10g Out of stock Inquiry
Batchno.20250722 1g In stock Tianjin, Chengdu Inquiry
Batchno.20250528 250mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250312 25g Out of stock Inquiry
Batchno.20250317 5g In stock Shenzhen, Tianjin Inquiry
  • Product code: SSC-111404
GET A QUOTE
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: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 22888-56-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

22888-56-8 / 2-amino-3-(3-nitrophenyl)propanoic acid

Standard CAS: 22888-56-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22888-56-8
Multi CAS
No
Molecular Formula
C9H10N2O4
Molecular Weight
210.190000
Exact Mass
210.064057
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])CC(C(=O)O)N
InChI
InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-2-1-3-7(4-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)
InChIKey
YTHDRUZHNYKZGF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
52.41
TPSA
106.46

LogP / Solubility

WLOGP
0.55
MLOGP
0.48
XLogP3
-1.2
Consensus LogP
-0.06
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
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)
-3.61

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us