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CAS 1208682-80-7 4-methoxypyrimidine-2-carboxylicacid molecular structure lightbox
CAS RN: 1208682-80-7

4-methoxypyrimidine-2-carboxylicacid

  • Product code: SSC-022203
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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: 0.25g
  • 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 1208682-80-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1208682-80-7 / 4-methoxypyrimidine-2-carboxylic acid

4-Methoxypyrimidine-2-carboxylic acid | MFCD11520492 | 4-methoxypyrimidine-2-carboxylicacid

Standard CAS: 1208682-80-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1208682-80-7
Multi CAS
No
Molecular Formula
C6H6N2O3
Molecular Weight
154.120000
Exact Mass
154.037842
SMILES
COC1=NC(=NC=C1)C(=O)O
InChI
InChI=1S/C6H6N2O3/c1-11-4-2-3-7-5(8-4)6(9)10/h2-3H,1H3,(H,9,10)
InChIKey
SAJWBBTYRMBHDQ-UHFFFAOYSA-N
Synonyms
4-Methoxypyrimidine-2-carboxylic acid MFCD11520492 4-methoxypyrimidine-2-carboxylicacid 4-?methoxy-2-?Pyrimidinecarboxylic acid SCHEMBL2723992

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
35.54
TPSA
72.31

LogP / Solubility

WLOGP
0.18
MLOGP
0.16
XLogP3
0.4
Consensus LogP
0.25
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.05
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)
-3.53

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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