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CAS 109229-22-3 6-benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one molecular structure lightbox
CAS RN: 109229-22-3

6-benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250416 250mg / 1g / 5g Out of stock 15 business days Inquiry
  • Product code: SSC-010316
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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: ＞97%
  • 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 109229-22-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

109229-22-3 / 6-benzyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-BENZYL-5,6,7,8-TETRAHYDROPYRIDO[4,3-D]PYRIMIDIN-4(4AH)-ONE | MFCD19382512 | 6-benzyl-4a,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

Standard CAS: 109229-22-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
109229-22-3
Multi CAS
Yes
Molecular Formula
C14H15N3O
Molecular Weight
241.290000
Exact Mass
241.121512
SMILES
C1CN(CC2=C1N=CNC2=O)CC3=CC=CC=C3
InChI
InChI=1S/C14H15N3O/c18-14-12-9-17(7-6-13(12)15-10-16-14)8-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,15,16,18)
InChIKey
PVNGDFHKRAIVTC-UHFFFAOYSA-N
Synonyms
6-BENZYL-5,6,7,8-TETRAHYDROPYRIDO[4,3-D]PYRIMIDIN-4(4AH)-ONE MFCD19382512 6-benzyl-4a,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one UUBYONJHDUREIJ-UHFFFAOYSA-N SC3481

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.12
TPSA
48.99

LogP / Solubility

WLOGP
1.33
MLOGP
1.17
XLogP3
0.7
Consensus LogP
1.07
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-3.25

Drug-likeness / Medicinal Chemistry

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

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