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CAS 16778-21-5 4-Chloro-8-methoxyquinoline molecular structure lightbox
CAS RN: 16778-21-5

4-Chloro-8-methoxyquinoline

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250506 500mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-073176
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 25g, 0.25g, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 16778-21-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Beijing Inquiry
25g >97% 5 In Stock Hong Kong Inquiry
0.25g >97% 3 In Stock Shanghai Inquiry
5g >97% 3 In Stock Hong Kong Inquiry
10g >97% 1 In Stock Shanghai Inquiry

16778-21-5 / 4-chloro-8-methoxyquinoline

Standard CAS: 16778-21-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16778-21-5
Multi CAS
No
Molecular Formula
C10H8ClNO
Molecular Weight
193.630000
Exact Mass
193.029442
SMILES
COC1=CC=CC2=C(C=CN=C21)Cl
InChI
InChI=1S/C10H8ClNO/c1-13-9-4-2-3-7-8(11)5-6-12-10(7)9/h2-6H,1H3
InChIKey
LCYDNBWXXPOMQL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
53.31
TPSA
22.12

LogP / Solubility

WLOGP
2.9
MLOGP
2.55
XLogP3
3
Consensus LogP
2.82
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501

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