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CAS 835-60-9 5-METHYL-1-P-TOLYL-1H-PYRAZOLE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 835-60-9

5-METHYL-1-P-TOLYL-1H-PYRAZOLE-3-CARBOXYLIC ACID

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260521 50mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-191307
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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: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 8
  • 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 835-60-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Shanghai Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g -- 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g -- 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g -- 1 In Stock Beijing Inquiry
5g >95% 1 In Stock Beijing Inquiry
10g -- 0 Out of Stock Hong Kong Inquiry
10g >95% 0 Out of Stock Shenzhen Inquiry

835-60-9 / 5-methyl-1-(4-methylphenyl)pyrazole-3-carboxylic acid

Standard CAS: 835-60-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
835-60-9
Multi CAS
No
Molecular Formula
C12H12N2O2
Molecular Weight
216.240000
Exact Mass
216.089878
InChI
InChI=1S/C12H12N2O2/c1-8-3-5-10(6-4-8)14-9(2)7-11(13-14)12(15)16/h3-7H,1-2H3,(H,15,16)
InChIKey
NKHBUGPSFOPHET-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60
TPSA
55.12

LogP / Solubility

WLOGP
2.19
MLOGP
1.93
XLogP3
2.5
Consensus LogP
2.21
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49

Drug-likeness / Medicinal Chemistry

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

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