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CAS 210529-62-7 N(ALPHA)-(2 4-DINITRO-5-FLUOROPHENYL)- molecular structure lightbox
CAS RN: 210529-62-7

N(ALPHA)-(2 4-DINITRO-5-FLUOROPHENYL)-

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260518 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-100279
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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, 5g, 10g
  • Available purity: ≥97%
  • Inventory rows with stock: 5
  • 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 210529-62-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 5 In Stock Beijing Inquiry
0.25g ≥97% 5 In Stock Hong Kong Inquiry
1g ≥97% 5 In Stock Shenzhen Inquiry
5g ≥97% 4 In Stock Hong Kong Inquiry
10g ≥97% 4 In Stock Shanghai Inquiry

210529-62-7 / (2R)-2-(5-fluoro-2,4-dinitroanilino)-3-methylbutanamide

Standard CAS: 210529-62-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
210529-62-7
Multi CAS
No
Molecular Formula
C11H13FN4O5
Molecular Weight
300.240000
Exact Mass
300.086998
SMILES
CC(C)[C@H](C(=O)N)NC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F
InChI
InChI=1S/C11H13FN4O5/c1-5(2)10(11(13)17)14-7-3-6(12)8(15(18)19)4-9(7)16(20)21/h3-5,10,14H,1-2H3,(H2,13,17)/t10-/m1/s1
InChIKey
ZTFFRKNPAXXEBL-SNVBAGLBSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
71.15
TPSA
141.4

LogP / Solubility

WLOGP
1.56
MLOGP
1.39
XLogP3
2.5
Consensus LogP
1.82
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.44

Drug-likeness / Medicinal Chemistry

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

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