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CAS 670220-69-6 2-(2-benzoxazolylamino)-1,4-dihydro-4-oxo-5-Pyrimidinecarboxylic acid ethyl ester molecular structure lightbox
CAS RN: 670220-69-6

2-(2-benzoxazolylamino)-1,4-dihydro-4-oxo-5-Pyrimidinecarboxylic acid ethyl ester

  • Product code: SSC-176686
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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 670220-69-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

670220-69-6 / ethyl 2-(1,3-benzoxazol-2-ylamino)-6-oxo-1H-pyrimidine-5-carboxylate

Standard CAS: 670220-69-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
670220-69-6
Multi CAS
Yes
Molecular Formula
C14H12N4O4
Molecular Weight
300.270000
Exact Mass
300.085855
InChI
InChI=1S/C14H12N4O4/c1-2-21-12(20)8-7-15-13(17-11(8)19)18-14-16-9-5-3-4-6-10(9)22-14/h3-7H,2H2,1H3,(H2,15,16,17,18,19)
InChIKey
VHFXVXNQMAMKJF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
2
Molar refractivity
78.11
TPSA
110.11

LogP / Solubility

WLOGP
1.83
MLOGP
1.62
XLogP3
1.3
Consensus LogP
1.58
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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