![1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone structure](/static/products/3156/315696-53-8.webp)
1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone
TL;DR: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone (CAS 315696-53-8) is a chemical compound with molecular formula C29H27N3OS2 and molecular weight 497.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
Also Known As: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone, 1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone, 1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(2-methyl-6-phenylthiophe no[3,2-e]pyrimidin-4-ylthio)ethan-1-one
| Molecular Formula | C29H27N3OS2 |
|---|---|
| Molecular Weight | 497.16 g/mol |
| LogP | 7.6661 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.15955 |
| Heavy Atoms | 35 |
| Complexity | 1564.4073 |
Chemical Identifiers
| CAS Number | 315696-53-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC(=NC4=C3C=C(S4)C5=CC=CC=C5)C)C)C |
Product Overview
1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone (CAS 315696-53-8), with molecular formula C29H27N3OS2 and molecular weight 497.16 g/mol. IUPAC: 1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone.
Chemical Property Profile of 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone
Property Insights of 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone
The XLogP value of 7.6661 indicates that 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone?
The CAS number of 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone is 315696-53-8.
What is the molecular formula of 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone?
The molecular formula of 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone is C29H27N3OS2.
What is the molecular weight of 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone?
The molecular weight of 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone is 497.16 g/mol.
Where can I buy 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone?
You can request a quote for 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.