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CAS 1847-68-3 Methyl 5-(4-methoxyphenyl)-5-oxopentanoate molecular structure lightbox
CAS RN: 1847-68-3

Methyl 5-(4-methoxyphenyl)-5-oxopentanoate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260522 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1847-68-3
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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: 0.1g, 0.25g, 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 1847-68-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g 95%+ 0 Out of Stock Hong Kong Inquiry
0.25g 95%+ 0 Out of Stock Shenzhen Inquiry
1g 95%+ 0 Out of Stock Shanghai Inquiry

1847-68-3 / methyl 5-(4-methoxyphenyl)-5-oxopentanoate

Standard CAS: 1847-68-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1847-68-3
Multi CAS
No
Molecular Formula
C13H16O4
Molecular Weight
236.260000
Exact Mass
236.104859
SMILES
COC1=CC=C(C=C1)C(=O)CCCC(=O)OC
InChI
InChI=1S/C13H16O4/c1-16-11-8-6-10(7-9-11)12(14)4-3-5-13(15)17-2/h6-9H,3-5H2,1-2H3
InChIKey
FZIZKCLZDZFXCI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
63.19
TPSA
52.6

LogP / Solubility

WLOGP
2.22
MLOGP
1.96
XLogP3
1.7
Consensus LogP
1.96
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly 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)
-2.58

Drug-likeness / Medicinal Chemistry

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

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