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CAS 6814-58-0 CMNP molecular structure lightbox
CAS RN: 6814-58-0

CMNP

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250503 250mg / 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260614 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-177865
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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 6814-58-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

6814-58-0 / 3-chloro-5-methyl-4-nitro-1H-pyrazole

Standard CAS: 6814-58-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6814-58-0
Multi CAS
Yes
Molecular Formula
C4H4CLN3O2
Molecular Weight
161.550000
Exact Mass
160.999204
InChI
InChI=1S/C4H4ClN3O2/c1-2-3(8(9)10)4(5)7-6-2/h1H3,(H,6,7)
InChIKey
ZCHRCALASPNJEQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.99
TPSA
71.82

LogP / Solubility

WLOGP
1.28
MLOGP
1.12
XLogP3
1.4
Consensus LogP
1.27
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
Class (SILICOS-IT)
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)
-2.8

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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