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CAS 2713-85-1 N-(4-FLUORO-PHENYL)-3-OXO-BUTYRAMIDE molecular structure lightbox
CAS RN: 2713-85-1

N-(4-FLUORO-PHENYL)-3-OXO-BUTYRAMIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250622 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-125942
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2713-85-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2713-85-1 / N-(4-fluorophenyl)-3-oxobutanamide

Standard CAS: 2713-85-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2713-85-1
Multi CAS
No
Molecular Formula
C10H10FNO2
Molecular Weight
195.190000
Exact Mass
195.069557
SMILES
CC(=O)CC(=O)NC1=CC=C(C=C1)F
InChI
InChI=1S/C10H10FNO2/c1-7(13)6-10(14)12-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,14)
InChIKey
PCGMZJHAOYYUHF-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
2
H-bond donors
1
Molar refractivity
50.33
TPSA
46.17

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
1.6
Consensus LogP
1.62
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.67

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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