HEPT-S
TL;DR: HEPT-S (CAS 125057-07-0) is a chemical compound with molecular formula C14H16N2O3S2 and molecular weight 324.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-hydroxyethoxymethyl)-5-methyl-6-phenylsulfanyl-2-sulfanylidenepyrimidin-4-one
Also Known As: HEPT-S, HEPT deriv., 4(1H)-Pyrimidinone, 2,3-dihydro-1-((2-hydroxyethoxy)methyl)-5-methyl-6-(phenylthio)-2-thioxo-, 1-[(2-Hydroxyethoxy)methyl]-6-(phenylthio)-2-thiothymine, 1,2-Dihydro-1-[(2-hydroxyethoxy)methyl]-5-methyl-6-phenylthio-2-thioxopyrimidin-4(3H)-one
| Molecular Formula | C14H16N2O3S2 |
|---|---|
| Molecular Weight | 324.06 g/mol |
| LogP | 2.33191 |
| Topological Polar Surface Area | 67.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.06024 |
| Heavy Atoms | 21 |
| Complexity | 710.3944 |
Chemical Identifiers
| CAS Number | 125057-07-0 |
|---|---|
| SMILES | CC1=C(N(C(=S)NC1=O)COCCO)SC2=CC=CC=C2 |
Product Overview
HEPT-S (CAS 125057-07-0), with molecular formula C14H16N2O3S2 and molecular weight 324.06 g/mol. IUPAC: 1-(2-hydroxyethoxymethyl)-5-methyl-6-phenylsulfanyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of HEPT-S
Property Insights of HEPT-S
The XLogP value of 2.33191 suggests moderate lipophilicity, balancing water solubility and membrane permeability for HEPT-S. The TPSA of 67.25 Ų falls within the moderate polarity range, balancing permeability and solubility for HEPT-S. Following Lipinski's Rule of Five, HEPT-S has 2 hydrogen bond donor(s) and 5 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 HEPT-S?
The CAS number of HEPT-S is 125057-07-0.
What is the molecular formula of HEPT-S?
The molecular formula of HEPT-S is C14H16N2O3S2.
What is the molecular weight of HEPT-S?
The molecular weight of HEPT-S is 324.06 g/mol.
Where can I buy HEPT-S?
You can request a quote for HEPT-S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for HEPT-S?
Yes, KEHONG BIO provides custom synthesis services for HEPT-S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.