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CAS 1055-79-4 Urea,N,N’-bis(3,4,5-trimethoxyphenyl)- molecular structure lightbox
CAS RN: 1055-79-4

Urea,N,N’-bis(3,4,5-trimethoxyphenyl)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250116 5g Out of stock 30 business days Inquiry
  • Product code: SSC-007214
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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 1055-79-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1055-79-4 / 1,3-bis(3,4,5-trimethoxyphenyl)urea

1,3-bis(3,4,5-trimethoxyphenyl)urea | N,N'-BIS(3,4,5-TRIMETHOXYPHENYL)UREA | NSC168406

Standard CAS: 1055-79-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1055-79-4
Multi CAS
No
Molecular Formula
C19H24N2O7
Molecular Weight
392.400000
Exact Mass
392.158351
SMILES
COC1=CC(=CC(=C1OC)OC)NC(=O)NC2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C19H24N2O7/c1-23-13-7-11(8-14(24-2)17(13)27-5)20-19(22)21-12-9-15(25-3)18(28-6)16(10-12)26-4/h7-10H,1-6H3,(H2,20,21,22)
InChIKey
MWROYZINJIRWQF-UHFFFAOYSA-N
Synonyms
1,3-bis(3,4,5-trimethoxyphenyl)urea N,N'-BIS(3,4,5-TRIMETHOXYPHENYL)UREA NSC168406 SCHEMBL29663729 DTXSID60304930

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
2
Molar refractivity
104.84
TPSA
96.51

LogP / Solubility

WLOGP
3.38
MLOGP
3
XLogP3
2.3
Consensus LogP
2.89
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.98
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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