[email protected]
CAS 1777832-90-2 1777832-90-2 molecular structure lightbox
CAS RN: 1777832-90-2

1777832-90-2

Product Availability

Choose a grade to view its available package options.

5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250617 100mg In stock Shanghai Inquiry
Batchno.20260604 250mg Out of stock Inquiry
Batchno.20251224 25mg Out of stock Inquiry
Batchno.20250617 25mg / 100mg Out of stock 8-10 business days Inquiry
Batchno.20250306 50mg In stock Shanghai Inquiry
  • Product code: SSC-077711
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: 0.1g
  • Available purity: ≥95%
  • 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 1777832-90-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

1777832-90-2 / 1-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-3-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea

Standard CAS: 1777832-90-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1777832-90-2
Multi CAS
No
Molecular Formula
C27H23F2N7O3
Molecular Weight
531.500000
Exact Mass
531.183044
SMILES
CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C(=NC=C3)NC(=O)C=N4)F)C5=CC(=CC=C5)F
InChI
InChI=1S/C27H23F2N7O3/c1-27(2,3)21-13-22(36(35-21)16-6-4-5-15(28)11-16)33-26(38)32-19-8-7-17(12-18(19)29)39-20-9-10-30-25-24(20)31-14-23(37)34-25/h4-14H,1-3H3,(H,30,34,37)(H2,32,33,38)
InChIKey
AJFKKXIBHCRFJO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
27
Fraction Csp3
0.15
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
3
Molar refractivity
141.5
TPSA
126.82

LogP / Solubility

WLOGP
5.52
MLOGP
4.89
XLogP3
4.3
Consensus LogP
4.9
Log S (ESOL)
-6.79
Class (ESOL)
Insoluble
Log S (Ali)
-7.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.29
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.05

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5

Customers Also Viewed

Get In Touch

Contact Us