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CAS 1177447-31-2 4-Chloro-5-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one molecular structure lightbox
CAS RN: 1177447-31-2

4-Chloro-5-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one

  • Product code: SSC-017603
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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: 0.1g, 0.25g, 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 1177447-31-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1177447-31-2 / 4-chloro-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

4-chloro-5-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one | MFCD23098931 | 4-Chloro-5-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one

Standard CAS: 1177447-31-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1177447-31-2
Multi CAS
No
Molecular Formula
C8H8ClN3O
Molecular Weight
197.620000
Exact Mass
197.035590
SMILES
CC1CC(=O)NC2=C1C(=NC=N2)Cl
InChI
InChI=1S/C8H8ClN3O/c1-4-2-5(13)12-8-6(4)7(9)10-3-11-8/h3-4H,2H2,1H3,(H,10,11,12,13)
InChIKey
HGBDGFXWZDTFEB-UHFFFAOYSA-N
Synonyms
4-chloro-5-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one MFCD23098931 4-Chloro-5-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one 4-chloro-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one SCHEMBL1662194

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.38
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.7
TPSA
54.88

LogP / Solubility

WLOGP
1.58
MLOGP
1.39
XLogP3
1
Consensus LogP
1.32
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
Class (SILICOS-IT)
Moderately 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)
-2.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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