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CAS 187393-68-6 (E)-N-(6-aMino-1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydropyriMidin-5-yl)-3-(3,4-diMethoxyphenyl)acrylaMide molecular structure lightbox
CAS RN: 187393-68-6

(E)-N-(6-aMino-1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydropyriMidin-5-yl)-3-(3,4-diMethoxyphenyl)acrylaMide

  • Product code: SSC-087118
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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: 0.25g
  • 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 187393-68-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

187393-68-6 / (E)-N-(4-amino-1,3-diethyl-2,6-dioxopyrimidin-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide

Standard CAS: 187393-68-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
187393-68-6
Multi CAS
No
Molecular Formula
C19H24N4O5
Molecular Weight
388.400000
Exact Mass
388.174670
SMILES
CCN1C(=C(C(=O)N(C1=O)CC)NC(=O)/C=C/C2=CC(=C(C=C2)OC)OC)N
InChI
InChI=1S/C19H24N4O5/c1-5-22-17(20)16(18(25)23(6-2)19(22)26)21-15(24)10-8-12-7-9-13(27-3)14(11-12)28-4/h7-11H,5-6,20H2,1-4H3,(H,21,24)/b10-8+
InChIKey
FNIQYOUSUJTZII-CSKARUKUSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
2
Molar refractivity
107.93
TPSA
117.58

LogP / Solubility

WLOGP
1.3
MLOGP
1.17
XLogP3
1.1
Consensus LogP
1.19
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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