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CAS 35824-85-2 6-Chloro-5-formyl-1,3-dimethyluracil molecular structure lightbox
CAS RN: 35824-85-2

6-Chloro-5-formyl-1,3-dimethyluracil

  • Product code: SSC-142884
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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: 5g
  • 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 35824-85-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

35824-85-2 / 4-chloro-1,3-dimethyl-2,6-dioxopyrimidine-5-carbaldehyde

Standard CAS: 35824-85-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35824-85-2
Multi CAS
Yes
Molecular Formula
C7H7CLN2O3
Molecular Weight
202.590000
Exact Mass
202.014520
InChI
InChI=1S/C7H7ClN2O3/c1-9-5(8)4(3-11)6(12)10(2)7(9)13/h3H,1-2H3
InChIKey
QETLJJSSAJXEIO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
47.32
TPSA
61.07

LogP / Solubility

WLOGP
-0.45
MLOGP
-0.4
XLogP3
-0.1
Consensus LogP
-0.32
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-0.9
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.72
Class (SILICOS-IT)
Very 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)
-4.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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