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CAS 697739-03-0 Methyl 5-fluoro-2-methyl-3-nitrobenzoate molecular structure lightbox
CAS RN: 697739-03-0

Methyl 5-fluoro-2-methyl-3-nitrobenzoate

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250522 100g In stock Inquiry
Batchno.20250101 25g In stock Inquiry
Batchno.20251220 5g In stock Inquiry
  • Product code: SSC-179518
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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: 1g, 5g, 10g, 25g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 1
  • 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 697739-03-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 1 In Stock Shenzhen Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Hong Kong Inquiry

697739-03-0 / methyl 5-fluoro-2-methyl-3-nitrobenzoate

Standard CAS: 697739-03-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
697739-03-0
Multi CAS
Yes
Molecular Formula
C9FH8NO4
Molecular Weight
213.160000
Exact Mass
213.043736
InChI
InChI=1S/C9H8FNO4/c1-5-7(9(12)15-2)3-6(10)4-8(5)11(13)14/h3-4H,1-2H3
InChIKey
QOEAMLSLLJPIRF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
49.13
TPSA
69.44

LogP / Solubility

WLOGP
1.83
MLOGP
1.61
XLogP3
2.1
Consensus LogP
1.85
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72

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
1.5

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