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CAS 1203579-29-6 3-Bromo-4-chloro-6-methoxyquinoline molecular structure lightbox
CAS RN: 1203579-29-6

3-Bromo-4-chloro-6-methoxyquinoline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250317 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-021227
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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 1203579-29-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1203579-29-6 / 3-bromo-4-chloro-6-methoxyquinoline

4-BROMO-3-CHLORO-6-METHOXYQUINOLINE | MFCD07644515 | 4-Bromo-3-chloro-6-methoxy-quinoline

Standard CAS: 1203579-29-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1203579-29-6
Multi CAS
Yes
Molecular Formula
C10H7BrClNO
Molecular Weight
272.520000
Exact Mass
270.939950
SMILES
COC1=CC2=C(C(=CN=C2C=C1)Br)Cl
InChI
InChI=1S/C10H7BrClNO/c1-14-6-2-3-9-7(4-6)10(12)8(11)5-13-9/h2-5H,1H3
InChIKey
JPJOZOXSMAFCSD-UHFFFAOYSA-N
Synonyms
4-BROMO-3-CHLORO-6-METHOXYQUINOLINE MFCD07644515 4-Bromo-3-chloro-6-methoxy-quinoline SCHEMBL2998324 SCHEMBL29923658

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

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501

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