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CAS 1431412-19-9 4-Methoxyfuro[3,2-d]pyriMidine-6-carboxylic acid molecular structure lightbox
CAS RN: 1431412-19-9

4-Methoxyfuro[3,2-d]pyriMidine-6-carboxylic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260626 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1431412-19-9
  • Purity/Analytical Methods: >99.0%
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1431412-19-9 / 4-methoxyfuro[3,2-d]pyrimidine-6-carboxylic acid

Standard CAS: 1431412-19-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1431412-19-9
Multi CAS
No
Molecular Formula
C8H6N2O4
Molecular Weight
194.140000
Exact Mass
194.032757
SMILES
COC1=NC=NC2=C1OC(=C2)C(=O)O
InChI
InChI=1S/C8H6N2O4/c1-13-7-6-4(9-3-10-7)2-5(14-6)8(11)12/h2-3H,1H3,(H,11,12)
InChIKey
BFINEDABYOVUMR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
45.32
TPSA
85.45

LogP / Solubility

WLOGP
0.93
MLOGP
0.82
XLogP3
0.9
Consensus LogP
0.88
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
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)
-3.24

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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