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CAS 716-61-0 D-(-)-threo-2-Amino-1-(4-nitrophenyl)-1,3-propanediol molecular structure lightbox
CAS RN: 716-61-0

D-(-)-threo-2-Amino-1-(4-nitrophenyl)-1,3-propanediol

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250423 1g / 10g / 50g / 250g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260217 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-181172
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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: 5g, 10g, 25g, 100g, 500g
  • Available purity: ≥97%
  • 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 716-61-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 5 In Stock Shanghai Inquiry
10g ≥97% 2 In Stock Beijing Inquiry
25g ≥97% 1 In Stock Beijing Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry
500g ≥97% 0 Out of Stock Hong Kong Inquiry

716-61-0 / (1R,2R)-2-amino-1-(4-nitrophenyl)propane-1,3-diol

Standard CAS: 716-61-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
716-61-0
Multi CAS
No
Molecular Formula
C9H12N2O4
Molecular Weight
212.200000
Exact Mass
212.079707
InChI
InChI=1S/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2/t8-,9-/m1/s1
InChIKey
OCYJXSUPZMNXEN-RKDXNWHRSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
3
Molar refractivity
53.12
TPSA
109.62

LogP / Solubility

WLOGP
-0.05
MLOGP
-0.04
XLogP3
-0.7
Consensus LogP
-0.26
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
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)
-4.05

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
2.5

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