HEPT derivative
TL;DR: HEPT derivative (CAS 132885-44-0) is a chemical compound with molecular formula C15H18N2O4S and molecular weight 322.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-hydroxyethoxymethyl)-3,5-dimethyl-6-phenylsulfanylpyrimidine-2,4-dione
Also Known As: HEPT derivative, 3-Me-HEPT, 2,4(1H,3H)-Pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-3,5-dimethyl-6-(phenylthio)-, 1-[(2-Hydroxyethoxy)methyl]-3-methyl-6-phenylthiothymine, 1-(2-hydroxyethoxymethyl)-3,5-dimethyl-6-phenylsulfanyl-pyrimidine-2,4-dione
| Molecular Formula | C15H18N2O4S |
|---|---|
| Molecular Weight | 322.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 95.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.09872 |
| Heavy Atoms | 22 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 132885-44-0 |
|---|---|
| SMILES | CC1=C(N(C(=O)N(C1=O)C)COCCO)SC2=CC=CC=C2 |
| InChIKey | FGIVEHAQQFWDEV-UHFFFAOYSA-N |
Product Overview
HEPT derivative (CAS 132885-44-0), with molecular formula C15H18N2O4S and molecular weight 322.10 g/mol. IUPAC: 1-(2-hydroxyethoxymethyl)-3,5-dimethyl-6-phenylsulfanylpyrimidine-2,4-dione.
Chemical Property Profile of HEPT derivative
Property Insights of HEPT derivative
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for HEPT derivative. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for HEPT derivative. Following Lipinski's Rule of Five, HEPT derivative has 1 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 derivative?
The CAS number of HEPT derivative is 132885-44-0.
What is the molecular formula of HEPT derivative?
The molecular formula of HEPT derivative is C15H18N2O4S.
What is the molecular weight of HEPT derivative?
The molecular weight of HEPT derivative is 322.10 g/mol.
Where can I buy HEPT derivative?
You can request a quote for HEPT derivative directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for HEPT derivative?
Yes, KEHONG BIO provides custom synthesis services for HEPT derivative and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.