![ethyl 4-[4-methyl-2-(methylsulfanyl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl ether structure](/static/products/3384/338416-18-5.webp)
ethyl 4-[4-methyl-2-(methylsulfanyl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl ether
TL;DR: ethyl 4-[4-methyl-2-(methylsulfanyl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl ether (CAS 338416-18-5) is a chemical compound with molecular formula C16H19N3OS and molecular weight 301.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-ethoxyphenyl)-4-methyl-2-methylsulfanyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
Also Known As: ethyl 4-[4-methyl-2-(methylsulfanyl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl ether, 7-(4-ethoxyphenyl)-4-methyl-2-(methylsulfanyl)-5H,6H,7H-pyrrolo[2,3-d]pyrimidine, 7-(4-ethoxyphenyl)-4-methyl-2-methylsulfanyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
| Molecular Formula | C16H19N3OS |
|---|---|
| Molecular Weight | 301.12 g/mol |
| LogP | 3.59982 |
| Topological Polar Surface Area | 38.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.12488 |
| Heavy Atoms | 21 |
| Complexity | 642.7155 |
Chemical Identifiers
| CAS Number | 338416-18-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2CCC3=C(N=C(N=C32)SC)C |
Product Overview
ethyl 4-[4-methyl-2-(methylsulfanyl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl ether (CAS 338416-18-5), with molecular formula C16H19N3OS and molecular weight 301.12 g/mol. IUPAC: 7-(4-ethoxyphenyl)-4-methyl-2-methylsulfanyl-5,6-dihydropyrrolo[2,3-d]pyrimidine.
Chemical Property Profile of ethyl 4-[4-methyl-2-(methylsulfanyl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl ether
Property Insights of ethyl 4-[4-methyl-2-(methylsulfanyl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl ether
The XLogP value of 3.59982 indicates that ethyl 4-[4-methyl-2-(methylsulfanyl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.25 Ų, ethyl 4-[4-methyl-2-(methylsulfanyl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-[4-methyl-2-(methylsulfanyl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl ether has 0 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 ethyl 4-[4-methyl-2-(methylsulfanyl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl ether?
The CAS number of ethyl 4-[4-methyl-2-(methylsulfanyl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl ether is 338416-18-5.
What is the molecular formula of ethyl 4-[4-methyl-2-(methylsulfanyl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl ether?
The molecular formula of ethyl 4-[4-methyl-2-(methylsulfanyl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl ether is C16H19N3OS.
What is the molecular weight of ethyl 4-[4-methyl-2-(methylsulfanyl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl ether?
The molecular weight of ethyl 4-[4-methyl-2-(methylsulfanyl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl ether is 301.12 g/mol.
Where can I buy ethyl 4-[4-methyl-2-(methylsulfanyl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl ether?
You can request a quote for ethyl 4-[4-methyl-2-(methylsulfanyl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-[4-methyl-2-(methylsulfanyl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl ether?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[4-methyl-2-(methylsulfanyl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.