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CAS 103408-63-5 2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-5-(tributylstannyl)- molecular structure lightbox
CAS RN: 103408-63-5

2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-5-(tributylstannyl)-

  • Product code: SSC-004932
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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 103408-63-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

103408-63-5 / 1,3-dimethyl-5-tributylstannylpyrimidine-2,4-dione

DTXSID00656788 | 1,3-Dimethyl-5-(tributylstannyl)pyrimidine-2,4(1H,3H)-dione | RefChem:218752

Standard CAS: 103408-63-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
103408-63-5
Multi CAS
Yes
Molecular Formula
C18H34N2O2Sn
Molecular Weight
429.200000
Exact Mass
430.164231
SMILES
CCCC[Sn](CCCC)(CCCC)C1=CN(C(=O)N(C1=O)C)C
InChI
InChI=1S/C6H7N2O2.3C4H9.Sn/c1-7-4-3-5(9)8(2)6(7)10;3*1-3-4-2;/h4H,1-2H3;3*1,3-4H2,2H3;
InChIKey
PLNLBEKHCPZVOS-UHFFFAOYSA-N
Synonyms
DTXSID00656788 1,3-Dimethyl-5-(tributylstannyl)pyrimidine-2,4(1H,3H)-dione RefChem:218752 DTXCID00607538 5-Tributylstannyl-1,3-dimethyluracil

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.78
Rotatable bonds
10
H-bond acceptors
4
Molar refractivity
101.46
TPSA
44

LogP / Solubility

WLOGP
3.14
MLOGP
2.79
XLogP3
3.14
Consensus LogP
3.02
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.26
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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