![2-(3-iodo-4,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one structure](/static/products/328/328910-80-1.png)
2-(3-iodo-4,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
TL;DR: 2-(3-iodo-4,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one (CAS 328910-80-1) is a chemical compound with molecular formula C18H19IN2O3S and molecular weight 470.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-iodo-4,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 2-(3-iodo-4,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one, 2-(3-iodo-4,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-(3-iodo-4,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one
| Molecular Formula | C18H19IN2O3S |
|---|---|
| Molecular Weight | 470.02 g/mol |
| LogP | 4.1028 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 470.0161 |
| Heavy Atoms | 25 |
| Complexity | 849.3321 |
Chemical Identifiers
| CAS Number | 328910-80-1 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C2NC3=C(C4=C(S3)CCCC4)C(=O)N2)I)OC |
Product Overview
2-(3-iodo-4,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one (CAS 328910-80-1), with molecular formula C18H19IN2O3S and molecular weight 470.02 g/mol. IUPAC: 2-(3-iodo-4,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-(3-iodo-4,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Property Insights of 2-(3-iodo-4,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
The XLogP value of 4.1028 indicates that 2-(3-iodo-4,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, 2-(3-iodo-4,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-iodo-4,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one 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
Frequently Asked Questions
What is the CAS number of 2-(3-iodo-4,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one?
The CAS number of 2-(3-iodo-4,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one is 328910-80-1.
What is the molecular formula of 2-(3-iodo-4,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one?
The molecular formula of 2-(3-iodo-4,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one is C18H19IN2O3S.
What is the molecular weight of 2-(3-iodo-4,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one?
The molecular weight of 2-(3-iodo-4,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one is 470.02 g/mol.
Where can I buy 2-(3-iodo-4,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one?
You can request a quote for 2-(3-iodo-4,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-iodo-4,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-iodo-4,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.