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CAS 91996-77-9 Pyrido[2,3-d]pyrimidin-2-ol (6CI,7CI) molecular structure lightbox
CAS RN: 91996-77-9

Pyrido[2,3-d]pyrimidin-2-ol (6CI,7CI)

  • Product code: SSC-205507
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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 91996-77-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

91996-77-9 / 1H-pyrido[2,3-d]pyrimidin-2-one

Standard CAS: 91996-77-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
91996-77-9
Multi CAS
Yes
Molecular Formula
C7H5N3O
Molecular Weight
147.130000
Exact Mass
147.043262
InChI
InChI=1S/C7H5N3O/c11-7-9-4-5-2-1-3-8-6(5)10-7/h1-4H,(H,8,9,10,11)
InChIKey
MHHOMHMNIRXARC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.16
TPSA
58.64

LogP / Solubility

WLOGP
0.32
MLOGP
0.27
Consensus LogP
0.2
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.88
Class (SILICOS-IT)
Very 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)
-3.39

Drug-likeness / Medicinal Chemistry

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

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