HEPT deriv.
TL;DR: HEPT deriv. (CAS 125057-01-4) is a chemical compound with molecular formula C20H18N2O5S and molecular weight 398.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzoyl-1-(2-hydroxyethoxymethyl)-6-phenylsulfanylpyrimidine-2,4-dione
Also Known As: HEPT deriv., 5PhCO-1-(2OHEtOMe)-6PhSU, 5-Benzoyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil, 2,4(1H,3H)-Pyrimidinedione, 5-benzoyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)-, 5-Benzoyl-1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)uracil
| Molecular Formula | C20H18N2O5S |
|---|---|
| Molecular Weight | 398.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 398.09363 |
| Heavy Atoms | 28 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 125057-01-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(N(C(=O)NC2=O)COCCO)SC3=CC=CC=C3 |
| InChIKey | LHHWRCJUDXWEQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
HEPT deriv. (CAS 125057-01-4), with molecular formula C20H18N2O5S and molecular weight 398.09 g/mol. IUPAC: 5-benzoyl-1-(2-hydroxyethoxymethyl)-6-phenylsulfanylpyrimidine-2,4-dione.
Chemical Property Profile of HEPT deriv.
Property Insights of HEPT deriv.
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for HEPT deriv.. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for HEPT deriv.. Following Lipinski's Rule of Five, HEPT deriv. has 2 hydrogen bond donor(s) and 6 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 deriv.?
The CAS number of HEPT deriv. is 125057-01-4.
What is the molecular formula of HEPT deriv.?
The molecular formula of HEPT deriv. is C20H18N2O5S.
What is the molecular weight of HEPT deriv.?
The molecular weight of HEPT deriv. is 398.09 g/mol.
Where can I buy HEPT deriv.?
You can request a quote for HEPT deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for HEPT deriv.?
Yes, KEHONG BIO provides custom synthesis services for HEPT deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.