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CAS 214983-04-7 Pyrido[2,3-d]pyrimidin-7(8H)-one, 8-methyl-2-(methylsulfonyl)-6-phenyl- molecular structure lightbox
CAS RN: 214983-04-7

Pyrido[2,3-d]pyrimidin-7(8H)-one, 8-methyl-2-(methylsulfonyl)-6-phenyl-

  • Product code: SSC-103065
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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: 1g
  • 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 214983-04-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

214983-04-7 / 8-methyl-2-methylsulfonyl-6-phenylpyrido[2,3-d]pyrimidin-7-one

Standard CAS: 214983-04-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214983-04-7
Multi CAS
No
Molecular Formula
C15H13N3O3S
Molecular Weight
315.300000
Exact Mass
315.067762
SMILES
CN1C2=NC(=NC=C2C=C(C1=O)C3=CC=CC=C3)S(=O)(=O)C
InChI
InChI=1S/C15H13N3O3S/c1-18-13-11(9-16-15(17-13)22(2,20)21)8-12(14(18)19)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKey
AYYAGZHKFLLINM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
83.32
TPSA
81.92

LogP / Solubility

WLOGP
1.4
MLOGP
1.24
XLogP3
1.3
Consensus LogP
1.31
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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