Hydrouracil, 3-octyl-2-thio-
TL;DR: Hydrouracil, 3-octyl-2-thio- (CAS 5540-66-9) is a chemical compound with molecular formula C12H22N2OS and molecular weight 242.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-octyl-2-sulfanylidene-1,3-diazinan-4-one
Also Known As: Hydrouracil, 3-octyl-2-thio-, 5,6-Dihydro-3-octyl-2-thiouracil, 3-octyl-2-sulfanylidene-1,3-diazinan-4-one, 4(1H)-Pyrimidinone, tetrahydro-3-octyl-2-thioxo-, Tetrahydro-3-octyl-2-thioxo-4(1H)-pyrimidinone
| Molecular Formula | C12H22N2OS |
|---|---|
| Molecular Weight | 242.15 g/mol |
| LogP | 2.4537 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 242.14528 |
| Heavy Atoms | 16 |
| Complexity | 227.17326 |
Chemical Identifiers
| CAS Number | 5540-66-9 |
|---|---|
| SMILES | CCCCCCCCN1C(=O)CCNC1=S |
Product Overview
Hydrouracil, 3-octyl-2-thio- (CAS 5540-66-9), with molecular formula C12H22N2OS and molecular weight 242.15 g/mol. IUPAC: 3-octyl-2-sulfanylidene-1,3-diazinan-4-one.
Chemical Property Profile of Hydrouracil, 3-octyl-2-thio-
Property Insights of Hydrouracil, 3-octyl-2-thio-
The XLogP value of 2.4537 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydrouracil, 3-octyl-2-thio-. With a topological polar surface area (TPSA) of 32.34 Ų, Hydrouracil, 3-octyl-2-thio- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydrouracil, 3-octyl-2-thio- 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 Hydrouracil, 3-octyl-2-thio-?
The CAS number of Hydrouracil, 3-octyl-2-thio- is 5540-66-9.
What is the molecular formula of Hydrouracil, 3-octyl-2-thio-?
The molecular formula of Hydrouracil, 3-octyl-2-thio- is C12H22N2OS.
What is the molecular weight of Hydrouracil, 3-octyl-2-thio-?
The molecular weight of Hydrouracil, 3-octyl-2-thio- is 242.15 g/mol.
Where can I buy Hydrouracil, 3-octyl-2-thio-?
You can request a quote for Hydrouracil, 3-octyl-2-thio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydrouracil, 3-octyl-2-thio-?
Yes, KEHONG BIO provides custom synthesis services for Hydrouracil, 3-octyl-2-thio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.