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CAS 2252403-85-1 4-[(S)-4-Boc-2-methyl-1-piperazinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-isopropyl-4-methyl-3-pyridyl)pyrido[2,3-d]pyrimidin-2(1H)-one molecular structure lightbox
CAS RN: 2252403-85-1

4-[(S)-4-Boc-2-methyl-1-piperazinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-isopropyl-4-methyl-3-pyridyl)pyrido[2,3-d]pyrimidin-2(1H)-one

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251129 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-110137
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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: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 2252403-85-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

2252403-85-1 / tert-butyl 4-[6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate

Standard CAS: 2252403-85-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2252403-85-1
Multi CAS
No
Molecular Formula
C32H36F2N6O4
Molecular Weight
606.700000
Exact Mass
606.276610
SMILES
CC1CN(CCN1C2=NC(=O)N(C3=NC(=C(C=C32)F)C4=C(C=CC=C4F)O)C5=C(C=CN=C5C(C)C)C)C(=O)OC(C)(C)C
InChI
InChI=1S/C32H36F2N6O4/c1-17(2)25-27(18(3)11-12-35-25)40-29-20(15-22(34)26(36-29)24-21(33)9-8-10-23(24)41)28(37-30(40)42)39-14-13-38(16-19(39)4)31(43)44-32(5,6)7/h8-12,15,17,19,41H,13-14,16H2,1-7H3/t19-/m0/s1
InChIKey
PETFFVPRVBVQKQ-IBGZPJMESA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
22
Fraction Csp3
0.41
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
1
Molar refractivity
163.39
TPSA
113.68

LogP / Solubility

WLOGP
5.7
MLOGP
5.07
XLogP3
4.8
Consensus LogP
5.19
Log S (ESOL)
-7.3
Class (ESOL)
Insoluble
Log S (Ali)
-8.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.82
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.37

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5.5

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