![2-(4-methoxy-3-nitrophenyl)-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-4-one structure](/static/products/357/357618-45-2.png)
2-(4-methoxy-3-nitrophenyl)-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-4-one
TL;DR: 2-(4-methoxy-3-nitrophenyl)-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-4-one (CAS 357618-45-2) is a chemical compound with molecular formula C17H15N3O4S and molecular weight 357.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxy-3-nitrophenyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 2-(4-methoxy-3-nitrophenyl)-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-4-one, 2-(4-methoxy-3-nitrophenyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-(4-methoxy-3-nitrophenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol, 2-(4-methoxy-3-nitrophenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C17H15N3O4S |
|---|---|
| Molecular Weight | 357.08 g/mol |
| LogP | 3.4472 |
| Topological Polar Surface Area | 98.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.07834 |
| Heavy Atoms | 25 |
| Complexity | 1053.963 |
Chemical Identifiers
| CAS Number | 357618-45-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)[N+](=O)[O-] |
Product Overview
2-(4-methoxy-3-nitrophenyl)-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-4-one (CAS 357618-45-2), with molecular formula C17H15N3O4S and molecular weight 357.08 g/mol. IUPAC: 2-(4-methoxy-3-nitrophenyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-(4-methoxy-3-nitrophenyl)-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-4-one
Property Insights of 2-(4-methoxy-3-nitrophenyl)-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-4-one
The XLogP value of 3.4472 indicates that 2-(4-methoxy-3-nitrophenyl)-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-methoxy-3-nitrophenyl)-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-4-one. Following Lipinski's Rule of Five, 2-(4-methoxy-3-nitrophenyl)-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-4-one has 1 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 2-(4-methoxy-3-nitrophenyl)-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-4-one?
The CAS number of 2-(4-methoxy-3-nitrophenyl)-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-4-one is 357618-45-2.
What is the molecular formula of 2-(4-methoxy-3-nitrophenyl)-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-4-one?
The molecular formula of 2-(4-methoxy-3-nitrophenyl)-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-4-one is C17H15N3O4S.
What is the molecular weight of 2-(4-methoxy-3-nitrophenyl)-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-4-one?
The molecular weight of 2-(4-methoxy-3-nitrophenyl)-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-4-one is 357.08 g/mol.
Where can I buy 2-(4-methoxy-3-nitrophenyl)-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-4-one?
You can request a quote for 2-(4-methoxy-3-nitrophenyl)-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-methoxy-3-nitrophenyl)-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-methoxy-3-nitrophenyl)-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.