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CAS 19562-30-2 PIROMIDIC ACID molecular structure lightbox
CAS RN: 19562-30-2

PIROMIDIC ACID

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260522 10mg / 50mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS19562-30-2
  • Purity/Analytical Methods: >99.0%
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19562-30-2 / 8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid

Standard CAS: 19562-30-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19562-30-2
Multi CAS
No
Molecular Formula
C14H16N4O3
Molecular Weight
288.300000
Exact Mass
288.122240
SMILES
CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCCC3)C(=O)O
InChI
InChI=1S/C14H16N4O3/c1-2-17-8-10(13(20)21)11(19)9-7-15-14(16-12(9)17)18-5-3-4-6-18/h7-8H,2-6H2,1H3,(H,20,21)
InChIKey
RCIMBBZXSXFZBV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
10
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
77.88
TPSA
88.32

LogP / Solubility

WLOGP
1.11
MLOGP
0.99
XLogP3
1.3
Consensus LogP
1.13
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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