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CAS 63131-29-3 Methyl (4-Fluorobenzoyl)acetate molecular structure lightbox
CAS RN: 63131-29-3

Methyl (4-Fluorobenzoyl)acetate

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250219 100g In stock Shanghai Inquiry
Batchno.20250224 10g In stock Shanghai, Tianjin Inquiry
Batchno.20260407 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250307 25g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260621 5g In stock Shanghai Inquiry
  • Product code: SSC-172688
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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
  • Available purity: >95%
  • 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 63131-29-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry
10g >95% 0 Out of Stock Shanghai Inquiry
25g >95% 0 Out of Stock Hong Kong Inquiry

63131-29-3 / methyl 3-(4-fluorophenyl)-3-oxopropanoate

Standard CAS: 63131-29-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
63131-29-3
Multi CAS
Yes
Molecular Formula
C10FH9O3
Molecular Weight
196.170000
Exact Mass
196.053572
InChI
InChI=1S/C10H9FO3/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3
InChIKey
HGLVYXXPRSNKQN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
47.36
TPSA
43.37

LogP / Solubility

WLOGP
1.57
MLOGP
1.38
XLogP3
1.7
Consensus LogP
1.55
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-2.8

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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