![4-((2-chlorobenzyl)thio)-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine structure](/static/products/4428/442879-32-5.webp)
4-((2-chlorobenzyl)thio)-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
TL;DR: 4-((2-chlorobenzyl)thio)-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine (CAS 442879-32-5) is a chemical compound with molecular formula C27H22ClN3OS and molecular weight 471.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-chlorophenyl)methylsulfanyl]-7-(4-ethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
Also Known As: 4-{[(2-chlorophenyl)methyl]sulfanyl}-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine, F0548-0399, 4-((2-chlorobenzyl)thio)-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine, 4-[(2-chlorophenyl)methylsulfanyl]-7-(4-ethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine, 1-{4-[(2-chlorophenyl)methylthio]-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl}-4-etho xybenzene
| Molecular Formula | C27H22ClN3OS |
|---|---|
| Molecular Weight | 471.12 g/mol |
| LogP | 7.4319 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 471.11722 |
| Heavy Atoms | 33 |
| Complexity | 1384.2 |
Chemical Identifiers
| CAS Number | 442879-32-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3SCC4=CC=CC=C4Cl)C5=CC=CC=C5 |
Product Overview
4-((2-chlorobenzyl)thio)-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine (CAS 442879-32-5), with molecular formula C27H22ClN3OS and molecular weight 471.12 g/mol. IUPAC: 4-[(2-chlorophenyl)methylsulfanyl]-7-(4-ethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine.
Chemical Property Profile of 4-((2-chlorobenzyl)thio)-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
Property Insights of 4-((2-chlorobenzyl)thio)-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
The XLogP value of 7.4319 indicates that 4-((2-chlorobenzyl)thio)-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.94 Ų, 4-((2-chlorobenzyl)thio)-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((2-chlorobenzyl)thio)-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((2-chlorobenzyl)thio)-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine?
The CAS number of 4-((2-chlorobenzyl)thio)-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine is 442879-32-5.
What is the molecular formula of 4-((2-chlorobenzyl)thio)-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine?
The molecular formula of 4-((2-chlorobenzyl)thio)-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine is C27H22ClN3OS.
What is the molecular weight of 4-((2-chlorobenzyl)thio)-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine?
The molecular weight of 4-((2-chlorobenzyl)thio)-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine is 471.12 g/mol.
Where can I buy 4-((2-chlorobenzyl)thio)-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine?
You can request a quote for 4-((2-chlorobenzyl)thio)-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2-chlorobenzyl)thio)-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-chlorobenzyl)thio)-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.