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CAS 25017-47-4 (3,4-Dimethoxyphenethyl)urea molecular structure lightbox
CAS RN: 25017-47-4

(3,4-Dimethoxyphenethyl)urea

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260521 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-120408
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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 25017-47-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

25017-47-4 / 2-(3,4-dimethoxyphenyl)ethylurea

Standard CAS: 25017-47-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25017-47-4
Multi CAS
No
Molecular Formula
C11H16N2O3
Molecular Weight
224.260000
Exact Mass
224.116092
SMILES
COC1=C(C=C(C=C1)CCNC(=O)N)OC
InChI
InChI=1S/C11H16N2O3/c1-15-9-4-3-8(7-10(9)16-2)5-6-13-11(12)14/h3-4,7H,5-6H2,1-2H3,(H3,12,13,14)
InChIKey
MDAOEGJTBPQGCB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.84
TPSA
73.58

LogP / Solubility

WLOGP
0.91
MLOGP
0.81
XLogP3
0.5
Consensus LogP
0.74
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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)
-3.44

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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