4-(7-Methoxy-1-benzofuran-2-yl)-2-pyrimidinethiol
TL;DR: 4-(7-Methoxy-1-benzofuran-2-yl)-2-pyrimidinethiol (CAS 692732-74-4) is a chemical compound with molecular formula C13H10N2O2S and molecular weight 258.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(7-methoxy-1-benzofuran-2-yl)-1H-pyrimidine-2-thione
Also Known As: 4-(7-methoxy-1-benzofuran-2-yl)-2-pyrimidinethiol, 4-(7-methoxy-1-benzofuran-2-yl)pyrimidine-2-thiol, 6-(7-methoxy-1-benzofuran-2-yl)-1H-pyrimidine-2-thione, 6-(7-methoxybenzofuran-2-yl)-1H-pyrimidine-2-thione, 6-(7-methoxy-2-benzofuranyl)-1H-pyrimidine-2-thione
| Molecular Formula | C13H10N2O2S |
|---|---|
| Molecular Weight | 258.05 g/mol |
| LogP | 3.56099 |
| Topological Polar Surface Area | 51.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.0463 |
| Heavy Atoms | 18 |
| Complexity | 760.7723 |
Chemical Identifiers
| CAS Number | 692732-74-4 |
|---|---|
| SMILES | COC1=CC=CC2=C1OC(=C2)C3=CC=NC(=S)N3 |
Product Overview
4-(7-Methoxy-1-benzofuran-2-yl)-2-pyrimidinethiol (CAS 692732-74-4), with molecular formula C13H10N2O2S and molecular weight 258.05 g/mol. IUPAC: 6-(7-methoxy-1-benzofuran-2-yl)-1H-pyrimidine-2-thione.
Chemical Property Profile of 4-(7-Methoxy-1-benzofuran-2-yl)-2-pyrimidinethiol
Property Insights of 4-(7-Methoxy-1-benzofuran-2-yl)-2-pyrimidinethiol
The XLogP value of 3.56099 indicates that 4-(7-Methoxy-1-benzofuran-2-yl)-2-pyrimidinethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.05 Ų, 4-(7-Methoxy-1-benzofuran-2-yl)-2-pyrimidinethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(7-Methoxy-1-benzofuran-2-yl)-2-pyrimidinethiol has 1 hydrogen bond donor(s) and 4 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 4-(7-Methoxy-1-benzofuran-2-yl)-2-pyrimidinethiol?
The CAS number of 4-(7-Methoxy-1-benzofuran-2-yl)-2-pyrimidinethiol is 692732-74-4.
What is the molecular formula of 4-(7-Methoxy-1-benzofuran-2-yl)-2-pyrimidinethiol?
The molecular formula of 4-(7-Methoxy-1-benzofuran-2-yl)-2-pyrimidinethiol is C13H10N2O2S.
What is the molecular weight of 4-(7-Methoxy-1-benzofuran-2-yl)-2-pyrimidinethiol?
The molecular weight of 4-(7-Methoxy-1-benzofuran-2-yl)-2-pyrimidinethiol is 258.05 g/mol.
Where can I buy 4-(7-Methoxy-1-benzofuran-2-yl)-2-pyrimidinethiol?
You can request a quote for 4-(7-Methoxy-1-benzofuran-2-yl)-2-pyrimidinethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(7-Methoxy-1-benzofuran-2-yl)-2-pyrimidinethiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(7-Methoxy-1-benzofuran-2-yl)-2-pyrimidinethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.