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HEPT-M structure
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HEPT-M

TL;DR: HEPT-M (CAS 125056-58-8) is a chemical compound with molecular formula C15H18N2O4S and molecular weight 322.09872 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

1-(2-hydroxyethoxymethyl)-5-methyl-6-(3-methylphenyl)sulfanylpyrimidine-2,4-dione

Also Known As: HEPT-M, 3'-MeHEPT, HEPT deriv., 1-((2-Hydroxyethoxy)methyl)-6-(3-methylphenyl)thio)thymine, 1-[(2-hydroxyethoxy)methyl]-6-m-tolylthiothymine

CAS Number
125056-58-8
Molecular Formula
C15H18N2O4S
Molecular Weight
322.09872 g/mol
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Application Areas

Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.

Heterocyclic Building Blocks (26 patents) Pharmaceutical Intermediates (10 patents)

Technical Specifications

Molecular FormulaC15H18N2O4S
Molecular Weight322.09872 g/mol
XLogP1.5
Topological Polar Surface Area (TPSA)104.0 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors5
Rotatable Bonds6
Exact Mass322.09872 Da
Heavy Atoms22
Complexity466.0
SMILESCC1=CC(=CC=C1)SC2=C(C(=O)NC(=O)N2COCCO)C
InChIKeyGBMQKZSGGJRJQY-UHFFFAOYSA-N

Chemical Property Profile of HEPT-M

XLogP
1.5
TPSA (Topological Polar Surface Area)
104.0
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
Rotatable Bonds
6
Heavy Atoms
22
Complexity
466.0
Exact Mass
322.09872
Monoisotopic Mass
322.09872
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of HEPT-M

The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for HEPT-M. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for HEPT-M. Following Lipinski's Rule of Five, HEPT-M 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

What is the CAS number of HEPT-M?

The CAS number of HEPT-M is 125056-58-8.

What is the molecular formula of HEPT-M?

The molecular formula of HEPT-M is C15H18N2O4S.

What is the molecular weight of HEPT-M?

The molecular weight of HEPT-M is 322.09872 g/mol.

Where can I buy HEPT-M?

You can request a quote for HEPT-M directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for HEPT-M?

Yes, CoreyChem provides custom synthesis services for HEPT-M and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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