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CAS 1189107-37-6 4-Bromo-8-chloro-5-methoxyquinoline molecular structure lightbox
CAS RN: 1189107-37-6

4-Bromo-8-chloro-5-methoxyquinoline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250326 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-019134
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1189107-37-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1189107-37-6 / 4-bromo-8-chloro-5-methoxyquinoline

4-Bromo-8-chloro-5-methoxyquinoline | MFCD12675020 | DTXSID30670952

Standard CAS: 1189107-37-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1189107-37-6
Multi CAS
No
Molecular Formula
C10H7BrClNO
Molecular Weight
272.520000
Exact Mass
270.939950
SMILES
COC1=C2C(=CC=NC2=C(C=C1)Cl)Br
InChI
InChI=1S/C10H7BrClNO/c1-14-8-3-2-7(12)10-9(8)6(11)4-5-13-10/h2-5H,1H3
InChIKey
BCCYFKPZAHJIKQ-UHFFFAOYSA-N
Synonyms
4-Bromo-8-chloro-5-methoxyquinoline MFCD12675020 DTXSID30670952 SY227564 DB-057855

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
61.01
TPSA
22.12

LogP / Solubility

WLOGP
3.66
MLOGP
3.23
XLogP3
3.5
Consensus LogP
3.46
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
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)
-1.78

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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