[email protected]
CAS 23170-45-8 5-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 23170-45-8

5-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID METHYL ESTER

  • Product code: SSC-112728
GET A QUOTE
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: 5g, 25g, 10g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 23170-45-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 4 In Stock Beijing Inquiry
25g >95% 2 In Stock Beijing Inquiry
10g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

23170-45-8 / methyl 5-methyl-1H-pyrazole-4-carboxylate

Standard CAS: 23170-45-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23170-45-8
Multi CAS
No
Molecular Formula
C6H8N2O2
Molecular Weight
140.140000
Exact Mass
140.058578
SMILES
CC1=C(C=NN1)C(=O)OC
InChI
InChI=1S/C6H8N2O2/c1-4-5(3-7-8-4)6(9)10-2/h3H,1-2H3,(H,7,8)
InChIKey
CRMIQSQQCPLMIJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.66
TPSA
54.98

LogP / Solubility

WLOGP
0.5
MLOGP
0.44
XLogP3
0.5
Consensus LogP
0.48
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.11
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)
-3.22

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us