[email protected]
CAS 937605-80-6 [3-methyl-6-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetic acid molecular structure lightbox
CAS RN: 937605-80-6

[3-methyl-6-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetic 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.20250316 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-208228
GET A QUOTE
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: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 937605-80-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

937605-80-6 / 2-[3-methyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid

Standard CAS: 937605-80-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
937605-80-6
Multi CAS
No
Molecular Formula
C16F3H12N3O2
Molecular Weight
335.280000
Exact Mass
335.088161
InChI
InChI=1S/C16H12F3N3O2/c1-9-14-11(16(17,18)19)7-12(10-5-3-2-4-6-10)20-15(14)22(21-9)8-13(23)24/h2-7H,8H2,1H3,(H,23,24)
InChIKey
IPLLGBHELDDWIQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.19
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
80.34
TPSA
68.01

LogP / Solubility

WLOGP
3.51
MLOGP
3.11
XLogP3
3.5
Consensus LogP
3.37
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.11
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us