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CAS 725705-56-6 6,8-DIMETHYL-2-PYRIDIN-2-YLQUINOLINE-4-CARBOXYLICACID molecular structure lightbox
CAS RN: 725705-56-6

6,8-DIMETHYL-2-PYRIDIN-2-YLQUINOLINE-4-CARBOXYLICACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250307 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS725705-56-6
  • Purity/Analytical Methods: >99.0%
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725705-56-6 / 6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylic acid

Standard CAS: 725705-56-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
725705-56-6
Multi CAS
No
Molecular Formula
C17H14N2O2
Molecular Weight
278.300000
Exact Mass
278.105528
InChI
InChI=1S/C17H14N2O2/c1-10-7-11(2)16-12(8-10)13(17(20)21)9-15(19-16)14-5-3-4-6-18-14/h3-9H,1-2H3,(H,20,21)
InChIKey
TZORFOZZBMQHCM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
81.41
TPSA
63.08

LogP / Solubility

WLOGP
3.61
MLOGP
3.19
XLogP3
3.1
Consensus LogP
3.3
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.71
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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