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CAS 5678-48-8 3-Amino-3-(2-nitrophenyl)propanoic acid molecular structure lightbox
CAS RN: 5678-48-8

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

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250328 250mg / 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-164805
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 5678-48-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry

5678-48-8 / 2-amino-3-(2-nitrophenyl)propanoic acid

Standard CAS: 5678-48-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5678-48-8
Multi CAS
Yes
Molecular Formula
C9H10N2O4
Molecular Weight
210.190000
Exact Mass
210.064057
InChI
InChI=1S/C9H10N2O4/c10-7(9(12)13)5-6-3-1-2-4-8(6)11(14)15/h1-4,7H,5,10H2,(H,12,13)
InChIKey
SDZGVFSSLGTJAJ-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
-1.6
Consensus LogP
-0.19
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

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