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CAS 2565-47-1 N-METHYLBARBITURIC ACID molecular structure lightbox
CAS RN: 2565-47-1

N-METHYLBARBITURIC ACID

  • Product code: SSC-121859
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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 2565-47-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

2565-47-1 / 1-methyl-1,3-diazinane-2,4,6-trione

Standard CAS: 2565-47-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2565-47-1
Multi CAS
No
Molecular Formula
C5H6N2O3
Molecular Weight
142.110000
Exact Mass
142.037842
SMILES
CN1C(=O)CC(=O)NC1=O
InChI
InChI=1S/C5H6N2O3/c1-7-4(9)2-3(8)6-5(7)10/h2H2,1H3,(H,6,8,10)
InChIKey
DCGGMHIZEAHUJL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
30.93
TPSA
66.48

LogP / Solubility

WLOGP
-0.92
MLOGP
-0.81
XLogP3
-0.8
Consensus LogP
-0.84
Log S (ESOL)
-0.14
Class (ESOL)
Very soluble
Log S (Ali)
-0.06
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.18
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-4.24

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

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