![1-[3-(2-hydroxyethyl)-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone structure](/static/products/6184/618402-91-8.webp)
1-[3-(2-hydroxyethyl)-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone
TL;DR: 1-[3-(2-hydroxyethyl)-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone (CAS 618402-91-8) is a chemical compound with molecular formula C14H20N2O2S and molecular weight 280.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(2-hydroxyethyl)-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone
Also Known As: 1-[3-(2-hydroxyethyl)-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone, F1396-0076, 1-(3-(2-hydroxyethyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)ethanone, 1-acetyl-3-(2-hydroxyethyl)-1,2,3,4,5,6,7,8-octahydrobenzo[b]thiopheno[2,3-d]p yrimidine, 1-[3-(2-hydroxyethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]ethanone
| Molecular Formula | C14H20N2O2S |
|---|---|
| Molecular Weight | 280.12 g/mol |
| LogP | 1.7452 |
| Topological Polar Surface Area | 43.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.12454 |
| Heavy Atoms | 19 |
| Complexity | 497.88055 |
Chemical Identifiers
| CAS Number | 618402-91-8 |
|---|---|
| SMILES | CC(=O)N1CN(CC2=C1SC3=C2CCCC3)CCO |
Product Overview
1-[3-(2-hydroxyethyl)-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone (CAS 618402-91-8), with molecular formula C14H20N2O2S and molecular weight 280.12 g/mol. IUPAC: 1-[3-(2-hydroxyethyl)-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone.
Chemical Property Profile of 1-[3-(2-hydroxyethyl)-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone
Property Insights of 1-[3-(2-hydroxyethyl)-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone
The XLogP value of 1.7452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-(2-hydroxyethyl)-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone. With a topological polar surface area (TPSA) of 43.78 Ų, 1-[3-(2-hydroxyethyl)-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-(2-hydroxyethyl)-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone 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 1-[3-(2-hydroxyethyl)-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone?
The CAS number of 1-[3-(2-hydroxyethyl)-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone is 618402-91-8.
What is the molecular formula of 1-[3-(2-hydroxyethyl)-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone?
The molecular formula of 1-[3-(2-hydroxyethyl)-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone is C14H20N2O2S.
What is the molecular weight of 1-[3-(2-hydroxyethyl)-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone?
The molecular weight of 1-[3-(2-hydroxyethyl)-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone is 280.12 g/mol.
Where can I buy 1-[3-(2-hydroxyethyl)-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone?
You can request a quote for 1-[3-(2-hydroxyethyl)-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(2-hydroxyethyl)-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(2-hydroxyethyl)-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.