CAS RN: 1150164-82-1
Methyl4,7-dichloro-8-fluoroquinoline-2-carboxylate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251222 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1150164-82-1
- Purity/Analytical Methods: >99.0%
1150164-82-1 / methyl 4,7-dichloro-8-fluoroquinoline-2-carboxylate
METHYL 4,7-DICHLORO-8-FLUOROQUINOLINE-2-CARBOXYLATE | MFCD12026029 | 2-Quinolinecarboxylic acid, 4,7-dichloro-8-fluoro-, methyl ester
Basic Information
CAS
1150164-82-1
Multi CAS
No
Molecular Formula
C11H6Cl2FNO2
Molecular Weight
274.070000
Exact Mass
272.975962
SMILES
COC(=O)C1=NC2=C(C=CC(=C2F)Cl)C(=C1)Cl
InChI
InChI=1S/C11H6Cl2FNO2/c1-17-11(16)8-4-7(13)5-2-3-6(12)9(14)10(5)15-8/h2-4H,1H3
InChIKey
FGNDUPGXGVRKMJ-UHFFFAOYSA-N
Synonyms
METHYL 4,7-DICHLORO-8-FLUOROQUINOLINE-2-CARBOXYLATE
MFCD12026029
2-Quinolinecarboxylic acid, 4,7-dichloro-8-fluoro-, methyl ester
DTXSID50674972
METHYL4,7-DICHLORO-8-FLUOROQUINOLINE-2-CARBOXYLATE
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
63.06
TPSA
39.19
LogP / Solubility
WLOGP
3.47
MLOGP
3.06
XLogP3
3.7
Consensus LogP
3.41
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
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)
-1.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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