![1-[4-(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone structure](/static/products/4452/445287-68-3.webp)
1-[4-(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone
TL;DR: 1-[4-(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone (CAS 445287-68-3) is a chemical compound with molecular formula C18H23IN2O3S and molecular weight 474.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone
Also Known As: 1-[4-(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone, 1-[4-(3-ethoxy-5-iodo-4-isopropoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl]ethanone, 1-{4-[3-ethoxy-5-iodo-4-(propan-2-yloxy)phenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl}ethanone
| Molecular Formula | C18H23IN2O3S |
|---|---|
| Molecular Weight | 474.05 g/mol |
| LogP | 3.8589 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.04742 |
| Heavy Atoms | 25 |
| Complexity | 731.2765 |
Chemical Identifiers
| CAS Number | 445287-68-3 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)C)I)OC(C)C |
Product Overview
1-[4-(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone (CAS 445287-68-3), with molecular formula C18H23IN2O3S and molecular weight 474.05 g/mol. IUPAC: 1-[4-(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone.
Chemical Property Profile of 1-[4-(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone
Property Insights of 1-[4-(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone
The XLogP value of 3.8589 indicates that 1-[4-(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, 1-[4-(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone has 2 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-[4-(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone?
The CAS number of 1-[4-(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone is 445287-68-3.
What is the molecular formula of 1-[4-(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone?
The molecular formula of 1-[4-(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone is C18H23IN2O3S.
What is the molecular weight of 1-[4-(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone?
The molecular weight of 1-[4-(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone is 474.05 g/mol.
Where can I buy 1-[4-(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone?
You can request a quote for 1-[4-(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-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-[4-(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.