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CAS 1044770-39-9 Ethyl 2-cyclopropyl-6-oxo-1,6-dihydropyrimidine-5-carboxylate molecular structure lightbox
CAS RN: 1044770-39-9

Ethyl 2-cyclopropyl-6-oxo-1,6-dihydropyrimidine-5-carboxylate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251104 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-006271
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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 1044770-39-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1044770-39-9 / ethyl 2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxylate

ethyl 2-cyclopropyl-6-oxo-1,6-dihydropyrimidine-5-carboxylate | RefChem:594356 | 103-347-7

Standard CAS: 1044770-39-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1044770-39-9
Multi CAS
Yes
Molecular Formula
C10H12N2O3
Molecular Weight
208.210000
Exact Mass
208.084792
SMILES
CCOC(=O)C1=CN=C(NC1=O)C2CC2
InChI
InChI=1S/C10H12N2O3/c1-2-15-10(14)7-5-11-8(6-3-4-6)12-9(7)13/h5-6H,2-4H2,1H3,(H,11,12,13)
InChIKey
DZSPYMMOWYDUES-UHFFFAOYSA-N
Synonyms
ethyl 2-cyclopropyl-6-oxo-1,6-dihydropyrimidine-5-carboxylate RefChem:594356 103-347-7 MFCD16162414 ethyl 2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.79
TPSA
72.05

LogP / Solubility

WLOGP
0.82
MLOGP
0.73
XLogP3
0.2
Consensus LogP
0.58
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
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)
-3.41

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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