4-Butylthiouracil
TL;DR: 4-Butylthiouracil (CAS 67914-02-7) is a chemical compound with molecular formula C8H12N2OS and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-butylsulfanyl-1H-pyrimidin-2-one
Also Known As: 4-Butylthiouracil, 2(1H)-Pyrimidinone, 6-(butylthio)-, 4-(Butylthio)-2(1H)-pyrimidinone, 6-butylsulfanyl-1H-pyrimidin-2-one, 6-(butylsulfanyl)pyrimidin-2(1h)-one
| Molecular Formula | C8H12N2OS |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.06703 |
| Heavy Atoms | 12 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 67914-02-7 |
|---|---|
| SMILES | CCCCSC1=CC=NC(=O)N1 |
| InChIKey | XJSXDGPSZGPVOK-UHFFFAOYSA-N |
Product Overview
4-Butylthiouracil (CAS 67914-02-7), with molecular formula C8H12N2OS and molecular weight 184.07 g/mol. IUPAC: 6-butylsulfanyl-1H-pyrimidin-2-one.
Chemical Property Profile of 4-Butylthiouracil
Property Insights of 4-Butylthiouracil
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Butylthiouracil. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Butylthiouracil. Following Lipinski's Rule of Five, 4-Butylthiouracil has 1 hydrogen bond donor(s) and 2 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 4-Butylthiouracil?
The CAS number of 4-Butylthiouracil is 67914-02-7.
What is the molecular formula of 4-Butylthiouracil?
The molecular formula of 4-Butylthiouracil is C8H12N2OS.
What is the molecular weight of 4-Butylthiouracil?
The molecular weight of 4-Butylthiouracil is 184.07 g/mol.
Where can I buy 4-Butylthiouracil?
You can request a quote for 4-Butylthiouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Butylthiouracil?
Yes, KEHONG BIO provides custom synthesis services for 4-Butylthiouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.