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CAS 57835-96-8 6-Chlorophthalazinone molecular structure lightbox
CAS RN: 57835-96-8

6-Chlorophthalazinone

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250809 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251201 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250106 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250620 250mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250206 5g In stock Shanghai Inquiry
  • Product code: SSC-166048
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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 57835-96-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

57835-96-8 / 6-chloro-2H-phthalazin-1-one

Standard CAS: 57835-96-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57835-96-8
Multi CAS
Yes
Molecular Formula
C8H5CLN2O
Molecular Weight
180.590000
Exact Mass
180.009041
InChI
InChI=1S/C8H5ClN2O/c9-6-1-2-7-5(3-6)4-10-11-8(7)12/h1-4H,(H,11,12)
InChIKey
XDECIMXTYLBMFQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.37
TPSA
45.75

LogP / Solubility

WLOGP
1.58
MLOGP
1.38
XLogP3
1.4
Consensus LogP
1.45
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately 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)
-2.7

Drug-likeness / Medicinal Chemistry

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

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