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CAS 351000-02-7 6-BROMO-3-METHYL-2-4-TOLYLQUINOLINE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 351000-02-7

6-BROMO-3-METHYL-2-4-TOLYLQUINOLINE-4-CARBOXYLIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251029 50mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS351000-02-7
  • Purity/Analytical Methods: >99.0%
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351000-02-7 / 6-bromo-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid

Standard CAS: 351000-02-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
351000-02-7
Multi CAS
No
Molecular Formula
BC18H14O2Rn
Molecular Weight
356.200000
Exact Mass
355.020790
InChI
InChI=1S/C18H14BrNO2/c1-10-3-5-12(6-4-10)17-11(2)16(18(21)22)14-9-13(19)7-8-15(14)20-17/h3-9H,1-2H3,(H,21,22)
InChIKey
IJKOKQJXLDYBKI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
91.31
TPSA
50.19

LogP / Solubility

WLOGP
4.98
MLOGP
4.4
XLogP3
4.8
Consensus LogP
4.73
Log S (ESOL)
-5.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.35
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.36

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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