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CAS 1189106-60-2 4-Bromo-7,8-difluoro-2-methylquinoline molecular structure lightbox
CAS RN: 1189106-60-2

4-Bromo-7,8-difluoro-2-methylquinoline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251109 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1189106-60-2
  • Purity/Analytical Methods: >99.0%
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1189106-60-2 / 4-bromo-7,8-difluoro-2-methylquinoline

4-Bromo-7,8-difluoro-2-methylquinoline | MFCD12675035 | DTXSID80670967

Standard CAS: 1189106-60-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1189106-60-2
Multi CAS
No
Molecular Formula
C10H6BrF2N
Molecular Weight
258.060000
Exact Mass
256.965170
SMILES
CC1=CC(=C2C=CC(=C(C2=N1)F)F)Br
InChI
InChI=1S/C10H6BrF2N/c1-5-4-7(11)6-2-3-8(12)9(13)10(6)14-5/h2-4H,1H3
InChIKey
NLJOYMXNGYMCPD-UHFFFAOYSA-N
Synonyms
4-Bromo-7,8-difluoro-2-methylquinoline MFCD12675035 DTXSID80670967 AKOS025394222 4-bromo-7,8-difluoro-2-methyl-quinoline

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
Molar refractivity
54.1
TPSA
12.89

LogP / Solubility

WLOGP
3.58
MLOGP
3.16
XLogP3
3.5
Consensus LogP
3.41
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.31
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)
-1.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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