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CAS 609356-00-5 4,6-Di(4-carboxyphenyl)pyrimidine molecular structure lightbox
CAS RN: 609356-00-5

4,6-Di(4-carboxyphenyl)pyrimidine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250426 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Guangdong 5-7 business days Inquiry
  • Product code: starshine_CAS609356-00-5
  • Purity/Analytical Methods: >99.0%
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609356-00-5 / 4-[6-(4-carboxyphenyl)pyrimidin-4-yl]benzoic acid

Standard CAS: 609356-00-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
609356-00-5
Multi CAS
No
Molecular Formula
C18H12N2O4
Molecular Weight
320.300000
Exact Mass
320.079707
InChI
InChI=1S/C18H12N2O4/c21-17(22)13-5-1-11(2-6-13)15-9-16(20-10-19-15)12-3-7-14(8-4-12)18(23)24/h1-10H,(H,21,22)(H,23,24)
InChIKey
VWTUTWRNJIMOBH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
86.82
TPSA
100.38

LogP / Solubility

WLOGP
3.21
MLOGP
2.84
XLogP3
2.6
Consensus LogP
2.88
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4

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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