5-piperidinomethyl-6-methyl-2-thiouracil
TL;DR: 5-piperidinomethyl-6-methyl-2-thiouracil (CAS 29228-83-9) is a chemical compound with molecular formula C11H17N3OS and molecular weight 239.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-5-(piperidin-1-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-piperidinomethyl-6-methyl-2-thiouracil, J2.860.223E, 6-methyl-5-(piperidin-1-ylmethyl)-2-sulfanylidene-1H-pyrimid, 6-Methyl-5-[(piperidin-1-yl)methyl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one, 2-Thioxo-5-(piperidinomethyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-4-one
| Molecular Formula | C11H17N3OS |
|---|---|
| Molecular Weight | 239.11 g/mol |
| LogP | 1.72681 |
| Topological Polar Surface Area | 51.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.10924 |
| Heavy Atoms | 16 |
| Complexity | 470.8534 |
Chemical Identifiers
| CAS Number | 29228-83-9 |
|---|---|
| SMILES | CC1=C(C(=O)NC(=S)N1)CN2CCCCC2 |
Product Overview
5-piperidinomethyl-6-methyl-2-thiouracil (CAS 29228-83-9), with molecular formula C11H17N3OS and molecular weight 239.11 g/mol. IUPAC: 6-methyl-5-(piperidin-1-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-piperidinomethyl-6-methyl-2-thiouracil
Property Insights of 5-piperidinomethyl-6-methyl-2-thiouracil
The XLogP value of 1.72681 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-piperidinomethyl-6-methyl-2-thiouracil. With a topological polar surface area (TPSA) of 51.89 Ų, 5-piperidinomethyl-6-methyl-2-thiouracil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-piperidinomethyl-6-methyl-2-thiouracil has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-piperidinomethyl-6-methyl-2-thiouracil?
The CAS number of 5-piperidinomethyl-6-methyl-2-thiouracil is 29228-83-9.
What is the molecular formula of 5-piperidinomethyl-6-methyl-2-thiouracil?
The molecular formula of 5-piperidinomethyl-6-methyl-2-thiouracil is C11H17N3OS.
What is the molecular weight of 5-piperidinomethyl-6-methyl-2-thiouracil?
The molecular weight of 5-piperidinomethyl-6-methyl-2-thiouracil is 239.11 g/mol.
Where can I buy 5-piperidinomethyl-6-methyl-2-thiouracil?
You can request a quote for 5-piperidinomethyl-6-methyl-2-thiouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-piperidinomethyl-6-methyl-2-thiouracil?
Yes, KEHONG BIO provides custom synthesis services for 5-piperidinomethyl-6-methyl-2-thiouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.