[email protected]
CAS 157518-45-1 5-FLUORO-2-METHOXYCINNAMIC ACID molecular structure lightbox
CAS RN: 157518-45-1

5-FLUORO-2-METHOXYCINNAMIC ACID

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260308 100mg In stock Inquiry
Batchno.20250410 1g In stock Inquiry
Batchno.20250721 250mg In stock Inquiry
Batchno.20250331 250mg / 1g / 10g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20260215 5g In stock Inquiry
  • Product code: SSC-066440
GET A QUOTE
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
Request Bulk Quote

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 157518-45-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

157518-45-1 / (E)-3-(5-fluoro-2-methoxyphenyl)prop-2-enoic acid

Standard CAS: 157518-45-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
157518-45-1
Multi CAS
No
Molecular Formula
C10H9FO3
Molecular Weight
196.170000
Exact Mass
196.053572
SMILES
COC1=C(C=C(C=C1)F)/C=C/C(=O)O
InChI
InChI=1S/C10H9FO3/c1-14-9-4-3-8(11)6-7(9)2-5-10(12)13/h2-6H,1H3,(H,12,13)/b5-2+
InChIKey
WWZPWGXNJORULY-GORDUTHDSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.62
TPSA
46.53

LogP / Solubility

WLOGP
1.93
MLOGP
1.7
XLogP3
1.9
Consensus LogP
1.84
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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)
-2.54

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

Customers Also Viewed

Get In Touch

Contact Us