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CAS 1070879-85-4 8-CHLORO-6-METHYL-2-PHENYL-4-QUINOLINOL molecular structure lightbox
CAS RN: 1070879-85-4

8-CHLORO-6-METHYL-2-PHENYL-4-QUINOLINOL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250528 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-008532
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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: ≥95%
  • 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 1070879-85-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1070879-85-4 / 8-chloro-6-methyl-2-phenyl-1H-quinolin-4-one

8-Chloro-6-methyl-2-phenyl-4-quinolinol | 8-chloro-6-methyl-2-phenylquinolin-4-ol | MFCD11505248

Standard CAS: 1070879-85-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1070879-85-4
Multi CAS
No
Molecular Formula
C16H12ClNO
Molecular Weight
269.720000
Exact Mass
269.060742
SMILES
CC1=CC2=C(C(=C1)Cl)NC(=CC2=O)C3=CC=CC=C3
InChI
InChI=1S/C16H12ClNO/c1-10-7-12-15(19)9-14(11-5-3-2-4-6-11)18-16(12)13(17)8-10/h2-9H,1H3,(H,18,19)
InChIKey
OZQNRKSVUNYDNR-UHFFFAOYSA-N
Synonyms
8-Chloro-6-methyl-2-phenyl-4-quinolinol 8-chloro-6-methyl-2-phenylquinolin-4-ol MFCD11505248 DTXSID00653732 AKOS005903643

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
79.75
TPSA
32.86

LogP / Solubility

WLOGP
4.16
MLOGP
3.67
XLogP3
4.2
Consensus LogP
4.01
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.98
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.41

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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