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CAS 1105039-93-7 1-(4-METHOXY-BENZYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 1105039-93-7

1-(4-METHOXY-BENZYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260604 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250114 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250819 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Hebei Inquiry
Batchno.20260224 25g In stock Shanghai Inquiry
Batchno.20250403 5g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-011547
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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: 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 1105039-93-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 2 In Stock Shenzhen Inquiry
1g >95% 2 In Stock Beijing Inquiry
5g >95% 2 In Stock Hong Kong Inquiry
10g >95% 2 In Stock Beijing Inquiry
25g >95% 2 In Stock Shenzhen Inquiry

1105039-93-7 / 1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid

1-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxylic acid | 1-((4-methoxyphenyl)methyl)-1H-pyrazole-4-carboxylic acid | RefChem:418695

Standard CAS: 1105039-93-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1105039-93-7
Multi CAS
No
Molecular Formula
C12H12N2O3
Molecular Weight
232.230000
Exact Mass
232.084792
SMILES
COC1=CC=C(C=C1)CN2C=C(C=N2)C(=O)O
InChI
InChI=1S/C12H12N2O3/c1-17-11-4-2-9(3-5-11)7-14-8-10(6-13-14)12(15)16/h2-6,8H,7H2,1H3,(H,15,16)
InChIKey
JMWJJDKQQMMJRG-UHFFFAOYSA-N
Synonyms
1-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxylic acid 1-((4-methoxyphenyl)methyl)-1H-pyrazole-4-carboxylic acid RefChem:418695 866-162-7 1-(4-Methoxybenzyl)-1H-pyrazole-4-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.28
TPSA
64.35

LogP / Solubility

WLOGP
1.64
MLOGP
1.45
XLogP3
1.3
Consensus LogP
1.46
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly 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)
-2.97

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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