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CAS 207346-42-7 Methyl 2-amino-4,5-difluorobenzoate molecular structure lightbox
CAS RN: 207346-42-7

Methyl 2-amino-4,5-difluorobenzoate

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250228 100g In stock Inquiry
Batchno.20260408 25g In stock Inquiry
Batchno.20260204 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250716 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: SSC-097632
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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, 100g, 1g, 25g
  • 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 207346-42-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Beijing Inquiry
10g >97% 5 In Stock Beijing Inquiry
100g >97% 3 In Stock Beijing Inquiry
1g >97% 2 In Stock Hong Kong Inquiry
25g >97% 1 In Stock Shenzhen Inquiry

207346-42-7 / methyl 2-amino-4,5-difluorobenzoate

Standard CAS: 207346-42-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
207346-42-7
Multi CAS
No
Molecular Formula
C8H7F2NO2
Molecular Weight
187.140000
Exact Mass
187.044485
SMILES
COC(=O)C1=CC(=C(C=C1N)F)F
InChI
InChI=1S/C8H7F2NO2/c1-13-8(12)4-2-5(9)6(10)3-7(4)11/h2-3H,11H2,1H3
InChIKey
VIAQNTRKUPBQKR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.11
TPSA
52.32

LogP / Solubility

WLOGP
1.33
MLOGP
1.17
XLogP3
1.8
Consensus LogP
1.43
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
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)
-2.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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