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CAS 577-39-9 3-fluoro-4-methoxy-5-nitrobenzoic acid molecular structure lightbox
CAS RN: 577-39-9

3-fluoro-4-methoxy-5-nitrobenzoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250702 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-165887
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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
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 577-39-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 1 In Stock Shanghai Inquiry
5g >97% 1 In Stock Shenzhen Inquiry

577-39-9 / 3-fluoro-4-methoxy-5-nitrobenzoic acid

Standard CAS: 577-39-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
577-39-9
Multi CAS
No
Molecular Formula
C8FH6NO5
Molecular Weight
215.130000
Exact Mass
215.023000
InChI
InChI=1S/C8H6FNO5/c1-15-7-5(9)2-4(8(11)12)3-6(7)10(13)14/h2-3H,1H3,(H,11,12)
InChIKey
FZVATVOZGBMDRQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46.57
TPSA
89.67

LogP / Solubility

WLOGP
1.44
MLOGP
1.27
XLogP3
1.3
Consensus LogP
1.34
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
Class (SILICOS-IT)
Moderately 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)
-3.01

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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