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CAS 55149-05-8 Pirolate molecular structure lightbox
CAS RN: 55149-05-8

Pirolate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260611 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS55149-05-8
  • Purity/Analytical Methods: >99.0%
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55149-05-8 / ethyl 7,8-dimethoxy-4-oxo-4aH-pyrimido[4,5-b]quinoline-2-carboxylate

Standard CAS: 55149-05-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55149-05-8
Multi CAS
Yes
Molecular Formula
C16H15N3O5
Molecular Weight
329.310000
Exact Mass
329.101171
InChI
InChI=1S/C16H15N3O5/c1-4-24-16(21)14-18-13-9(15(20)19-14)5-8-6-11(22-2)12(23-3)7-10(8)17-13/h5-7H,4H2,1-3H3,(H,17,18,19,20)
InChIKey
KIDJDJMACBOHKQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
4
H-bond acceptors
7
Molar refractivity
84.79
TPSA
98.91

LogP / Solubility

WLOGP
-0.37
MLOGP
-0.31
XLogP3
0.9
Consensus LogP
0.07
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
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)
-4.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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