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CAS 110960-73-1 ETHYL-4-METHYL PYRIMIDINE-5-CARBOXYLATE molecular structure lightbox
CAS RN: 110960-73-1

ETHYL-4-METHYL PYRIMIDINE-5-CARBOXYLATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250325 5g / 10g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-011855
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 110960-73-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 2 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry

110960-73-1 / ethyl 4-methylpyrimidine-5-carboxylate

ethyl 4-methylpyrimidine-5-carboxylate | DTXSID90526168 | RefChem:344062

Standard CAS: 110960-73-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
110960-73-1
Multi CAS
Yes
Molecular Formula
C8H10N2O2
Molecular Weight
166.180000
Exact Mass
166.074228
SMILES
CCOC(=O)C1=CN=CN=C1C
InChI
InChI=1S/C8H10N2O2/c1-3-12-8(11)7-4-9-5-10-6(7)2/h4-5H,3H2,1-2H3
InChIKey
VVZGEVKJTLFQQS-UHFFFAOYSA-N
Synonyms
ethyl 4-methylpyrimidine-5-carboxylate DTXSID90526168 RefChem:344062 DTXCID50476973 MFCD07369107

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
42.73
TPSA
52.08

LogP / Solubility

WLOGP
0.96
MLOGP
0.84
XLogP3
0.8
Consensus LogP
0.87
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
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)
-3.05

Drug-likeness / Medicinal Chemistry

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

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