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CAS 110821-07-3 2,4-DIMETHOXY-5-PYRIMIDINECARBOXYLIC ACID molecular structure lightbox
CAS RN: 110821-07-3

2,4-DIMETHOXY-5-PYRIMIDINECARBOXYLIC ACID

  • Product code: SSC-011772
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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 110821-07-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

110821-07-3 / 2,4-dimethoxypyrimidine-5-carboxylic acid

2,4-dimethoxypyrimidine-5-carboxylic acid | 2,4-dimethoxy-5-pyrimidinecarboxylic acid | MFCD03232921

Standard CAS: 110821-07-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
110821-07-3
Multi CAS
No
Molecular Formula
C7H8N2O4
Molecular Weight
184.150000
Exact Mass
184.048407
SMILES
COC1=NC(=NC=C1C(=O)O)OC
InChI
InChI=1S/C7H8N2O4/c1-12-5-4(6(10)11)3-8-7(9-5)13-2/h3H,1-2H3,(H,10,11)
InChIKey
JOCGXPSWYGHPDN-UHFFFAOYSA-N
Synonyms
2,4-dimethoxypyrimidine-5-carboxylic acid 2,4-dimethoxy-5-pyrimidinecarboxylic acid MFCD03232921 SCHEMBL2745323 DTXSID20551382

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
42.1
TPSA
81.54

LogP / Solubility

WLOGP
0.19
MLOGP
0.17
XLogP3
0.3
Consensus LogP
0.22
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.71

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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