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CAS 1246471-43-1 5-Boc-2-(methylthio)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidine molecular structure lightbox
CAS RN: 1246471-43-1

5-Boc-2-(methylthio)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidine

  • Product code: SSC-028673
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1246471-43-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Shanghai Inquiry
0.25g >97% 2 In Stock Shanghai Inquiry
1g >97% 2 In Stock Hong Kong Inquiry

1246471-43-1 / tert-butyl 2-methylsulfanyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidine-5-carboxylate

Standard CAS: 1246471-43-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1246471-43-1
Multi CAS
No
Molecular Formula
C13H19N3O2S
Molecular Weight
281.380000
Exact Mass
281.119798
SMILES
CC(C)(C)OC(=O)N1CCCC2=NC(=NC=C21)SC
InChI
InChI=1S/C13H19N3O2S/c1-13(2,3)18-12(17)16-7-5-6-9-10(16)8-14-11(15-9)19-4/h8H,5-7H2,1-4H3
InChIKey
WTQQJKUBDRUCJD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
75.71
TPSA
55.32

LogP / Solubility

WLOGP
2.89
MLOGP
2.55
XLogP3
2.2
Consensus LogP
2.55
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39

Drug-likeness / Medicinal Chemistry

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

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