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CAS 1028330-50-8 2,4-dichloro-7,8-dihydro-6H-quinolin-5-one molecular structure lightbox
CAS RN: 1028330-50-8

2,4-dichloro-7,8-dihydro-6H-quinolin-5-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260114 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-004179
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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 1028330-50-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1028330-50-8 / 2,4-dichloro-7,8-dihydro-6H-quinolin-5-one

2,4-Dichloro-7,8-dihydroquinolin-5(6H)-one | 2,4-dichloro-7,8-dihydro-6H-quinolin-5-one | 2,4-dichloro-5,6,7,8-tetrahydroquinolin-5-one

Standard CAS: 1028330-50-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1028330-50-8
Multi CAS
No
Molecular Formula
C9H7Cl2NO
Molecular Weight
216.060000
Exact Mass
214.990469
SMILES
C1CC2=C(C(=O)C1)C(=CC(=N2)Cl)Cl
InChI
InChI=1S/C9H7Cl2NO/c10-5-4-8(11)12-6-2-1-3-7(13)9(5)6/h4H,1-3H2
InChIKey
CSRAYLSWTFMAPH-UHFFFAOYSA-N
Synonyms
2,4-Dichloro-7,8-dihydroquinolin-5(6H)-one 2,4-dichloro-7,8-dihydro-6H-quinolin-5-one 2,4-dichloro-5,6,7,8-tetrahydroquinolin-5-one MFCD18253894 SCHEMBL3951992

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
Molar refractivity
51.53
TPSA
29.96

LogP / Solubility

WLOGP
2.91
MLOGP
2.56
XLogP3
2.6
Consensus LogP
2.69
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97

Drug-likeness / Medicinal Chemistry

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

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