CAS RN: 612088-38-7
6-(methoxycarbonyl)pyrimidine-4-carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260223 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS612088-38-7
- Purity/Analytical Methods: >99.0%
612088-38-7 / 6-methoxycarbonylpyrimidine-4-carboxylic acid
Basic Information
CAS
612088-38-7
Multi CAS
No
Molecular Formula
C7H6N2O4
Molecular Weight
182.130000
Exact Mass
182.032757
InChI
InChI=1S/C7H6N2O4/c1-13-7(12)5-2-4(6(10)11)8-3-9-5/h2-3H,1H3,(H,10,11)
InChIKey
LHMRMRJXNBERPE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
40.33
TPSA
89.38
LogP / Solubility
WLOGP
-0.04
MLOGP
-0.04
XLogP3
0.2
Consensus LogP
0.04
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.05
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)
-3.86
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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