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CAS 1005584-90-6 methyl 4-chloro-1H-pyrazole-5-carboxylate(SALTDATA: FREE) molecular structure lightbox
CAS RN: 1005584-90-6

methyl 4-chloro-1H-pyrazole-5-carboxylate(SALTDATA: FREE)

Product Availability

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7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250318 100g In stock Shanghai Inquiry
Batchno.20250402 100mg In stock Shanghai Inquiry
Batchno.20251127 10g In stock Shanghai Inquiry
Batchno.20250219 1g In stock Shanghai Inquiry
Batchno.20250801 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260311 25g In stock Shanghai Inquiry
Batchno.20260612 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-001162
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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, 10g, 25g, 0.1g, 0.25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 14
  • 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 1005584-90-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Beijing Inquiry
1g >95% 5 In Stock Shanghai Inquiry
5g -- 5 In Stock Beijing Inquiry
5g >95% 5 In Stock Shenzhen Inquiry
10g -- 5 In Stock Hong Kong Inquiry
10g >95% 5 In Stock Shanghai Inquiry
25g -- 5 In Stock Beijing Inquiry
25g >95% 5 In Stock Hong Kong Inquiry
0.1g -- 1 In Stock Shenzhen Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g -- 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
100g -- 1 In Stock Hong Kong Inquiry
100g >95% 1 In Stock Hong Kong Inquiry

1005584-90-6 / methyl 4-chloro-1H-pyrazole-5-carboxylate

methyl 4-chloro-1H-pyrazole-3-carboxylate | DTXSID50428078 | RefChem:816312

Standard CAS: 1005584-90-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1005584-90-6
Multi CAS
No
Molecular Formula
C5H5ClN2O2
Molecular Weight
160.560000
Exact Mass
160.003955
SMILES
COC(=O)C1=C(C=NN1)Cl
InChI
InChI=1S/C5H5ClN2O2/c1-10-5(9)4-3(6)2-7-8-4/h2H,1H3,(H,7,8)
InChIKey
AQUQWWCPNUDMIX-UHFFFAOYSA-N
Synonyms
methyl 4-chloro-1H-pyrazole-3-carboxylate DTXSID50428078 RefChem:816312 DTXCID40378912 998-062-5

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.94
TPSA
54.98

LogP / Solubility

WLOGP
0.85
MLOGP
0.74
XLogP3
1
Consensus LogP
0.86
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
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)
-3.1

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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