![ethyl 2-[(4-chlorophenyl)methyl]-5-methyl-4-sulfanylthieno[2,3-d]pyrimidine-6-carboxylate structure](/static/products/7841/784172-20-9.webp)
ethyl 2-[(4-chlorophenyl)methyl]-5-methyl-4-sulfanylthieno[2,3-d]pyrimidine-6-carboxylate
TL;DR: ethyl 2-[(4-chlorophenyl)methyl]-5-methyl-4-sulfanylthieno[2,3-d]pyrimidine-6-carboxylate (CAS 784172-20-9) is a chemical compound with molecular formula C17H15ClN2O2S2 and molecular weight 378.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-chlorophenyl)methyl]-5-methyl-4-sulfanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate
Also Known As: ethyl 2-[(4-chlorophenyl)methyl]-5-methyl-4-sulfanylthieno[2,3-d]pyrimidine-6-carboxylate, ethyl 2-(4-chlorobenzyl)-4-mercapto-5-methylthieno[2,3-d]pyrimidine-6-carboxylate, ethyl 2-[(4-chlorophenyl)methyl]-5-methyl-4-sulfanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate, ethyl2-[(4-chlorophenyl)methyl]-5-methyl-4-sulfanylthieno[2,3-d]pyrimidine-6-carboxylate, 2-(4-chlorobenzyl)-5-methyl-4-thioxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester
| Molecular Formula | C17H15ClN2O2S2 |
|---|---|
| Molecular Weight | 378.03 g/mol |
| LogP | 5.08321 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.02634 |
| Heavy Atoms | 24 |
| Complexity | 961.1213 |
Chemical Identifiers
| CAS Number | 784172-20-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)N=C(NC2=S)CC3=CC=C(C=C3)Cl)C |
Product Overview
ethyl 2-[(4-chlorophenyl)methyl]-5-methyl-4-sulfanylthieno[2,3-d]pyrimidine-6-carboxylate (CAS 784172-20-9), with molecular formula C17H15ClN2O2S2 and molecular weight 378.03 g/mol. IUPAC: ethyl 2-[(4-chlorophenyl)methyl]-5-methyl-4-sulfanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate.
Chemical Property Profile of ethyl 2-[(4-chlorophenyl)methyl]-5-methyl-4-sulfanylthieno[2,3-d]pyrimidine-6-carboxylate
Property Insights of ethyl 2-[(4-chlorophenyl)methyl]-5-methyl-4-sulfanylthieno[2,3-d]pyrimidine-6-carboxylate
The XLogP value of 5.08321 indicates that ethyl 2-[(4-chlorophenyl)methyl]-5-methyl-4-sulfanylthieno[2,3-d]pyrimidine-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.98 Ų, ethyl 2-[(4-chlorophenyl)methyl]-5-methyl-4-sulfanylthieno[2,3-d]pyrimidine-6-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-[(4-chlorophenyl)methyl]-5-methyl-4-sulfanylthieno[2,3-d]pyrimidine-6-carboxylate has 1 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 ethyl 2-[(4-chlorophenyl)methyl]-5-methyl-4-sulfanylthieno[2,3-d]pyrimidine-6-carboxylate?
The CAS number of ethyl 2-[(4-chlorophenyl)methyl]-5-methyl-4-sulfanylthieno[2,3-d]pyrimidine-6-carboxylate is 784172-20-9.
What is the molecular formula of ethyl 2-[(4-chlorophenyl)methyl]-5-methyl-4-sulfanylthieno[2,3-d]pyrimidine-6-carboxylate?
The molecular formula of ethyl 2-[(4-chlorophenyl)methyl]-5-methyl-4-sulfanylthieno[2,3-d]pyrimidine-6-carboxylate is C17H15ClN2O2S2.
What is the molecular weight of ethyl 2-[(4-chlorophenyl)methyl]-5-methyl-4-sulfanylthieno[2,3-d]pyrimidine-6-carboxylate?
The molecular weight of ethyl 2-[(4-chlorophenyl)methyl]-5-methyl-4-sulfanylthieno[2,3-d]pyrimidine-6-carboxylate is 378.03 g/mol.
Where can I buy ethyl 2-[(4-chlorophenyl)methyl]-5-methyl-4-sulfanylthieno[2,3-d]pyrimidine-6-carboxylate?
You can request a quote for ethyl 2-[(4-chlorophenyl)methyl]-5-methyl-4-sulfanylthieno[2,3-d]pyrimidine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[(4-chlorophenyl)methyl]-5-methyl-4-sulfanylthieno[2,3-d]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(4-chlorophenyl)methyl]-5-methyl-4-sulfanylthieno[2,3-d]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.