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CAS 1375064-63-3 2-Methylsulfanyl-5,6,7,8-tetrahydro-pyrido[3,2-d]pyriMidine hydrochloride molecular structure lightbox
CAS RN: 1375064-63-3

2-Methylsulfanyl-5,6,7,8-tetrahydro-pyrido[3,2-d]pyriMidine hydrochloride

  • Product code: SSC-047161
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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, 0.5g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 1375064-63-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
0.5g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1375064-63-3 / 2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidine;hydrochloride

Standard CAS: 1375064-63-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1375064-63-3
Multi CAS
No
Molecular Formula
C8H12ClN3S
Molecular Weight
217.720000
Exact Mass
217.044046
SMILES
CSC1=NC=C2C(=N1)CCCN2.Cl
InChI
InChI=1S/C8H11N3S.ClH/c1-12-8-10-5-7-6(11-8)3-2-4-9-7;/h5,9H,2-4H2,1H3;1H
InChIKey
MPUMFJCLDZVTGY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.87
TPSA
37.81

LogP / Solubility

WLOGP
1.98
MLOGP
1.74
XLogP3
1.98
Consensus LogP
1.9
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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)
-2.64

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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