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CAS 1031928-21-8 2-CHLORO-7,8-DIMETHYL-3-PHENYLQUINOLINE molecular structure lightbox
CAS RN: 1031928-21-8

2-CHLORO-7,8-DIMETHYL-3-PHENYLQUINOLINE

  • Product code: SSC-004615
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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, 5g, 0.25g, 0.1g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 1031928-21-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 3 In Stock Shenzhen Inquiry
0.25g >97% 2 In Stock Hong Kong Inquiry
0.1g >97% 0 Out of Stock Shanghai Inquiry

1031928-21-8 / 2-chloro-7,8-dimethyl-3-phenylquinoline

2-Chloro-7,8-dimethyl-3-phenylquinoline | MFCD09998017 | DTXSID50653626

Standard CAS: 1031928-21-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1031928-21-8
Multi CAS
No
Molecular Formula
C17H14ClN
Molecular Weight
267.800000
Exact Mass
267.081477
SMILES
CC1=C(C2=NC(=C(C=C2C=C1)C3=CC=CC=C3)Cl)C
InChI
InChI=1S/C17H14ClN/c1-11-8-9-14-10-15(13-6-4-3-5-7-13)17(18)19-16(14)12(11)2/h3-10H,1-2H3
InChIKey
KHGMLGVFKKVIGV-UHFFFAOYSA-N
Synonyms
2-Chloro-7,8-dimethyl-3-phenylquinoline MFCD09998017 DTXSID50653626 AC8912 SY251349

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
81.66
TPSA
12.89

LogP / Solubility

WLOGP
5.17
MLOGP
4.56
XLogP3
5.5
Consensus LogP
5.08
Log S (ESOL)
-5.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.81
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)
-0.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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