![2-Methoxyethyl 3-[2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-2-oxoethyl]-3,4-dihydro-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate structure](/static/products/811/811841-96-0.png)
2-Methoxyethyl 3-[2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-2-oxoethyl]-3,4-dihydro-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
TL;DR: 2-Methoxyethyl 3-[2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-2-oxoethyl]-3,4-dihydro-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate (CAS 811841-96-0) is a chemical compound with molecular formula C20H17ClF3N3O5S and molecular weight 503.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 3-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
Also Known As: 2-Methoxyethyl 3-[2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-2-oxoethyl]-3,4-dihydro-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate, 2-methoxyethyl 3-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
| Molecular Formula | C20H17ClF3N3O5S |
|---|---|
| Molecular Weight | 503.05 g/mol |
| LogP | 3.88052 |
| Topological Polar Surface Area | 99.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.05295 |
| Heavy Atoms | 33 |
| Complexity | 1272.2894 |
Chemical Identifiers
| CAS Number | 811841-96-0 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)C(=O)OCCOC |
Product Overview
2-Methoxyethyl 3-[2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-2-oxoethyl]-3,4-dihydro-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate (CAS 811841-96-0), with molecular formula C20H17ClF3N3O5S and molecular weight 503.05 g/mol. IUPAC: 2-methoxyethyl 3-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate.
Chemical Property Profile of 2-Methoxyethyl 3-[2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-2-oxoethyl]-3,4-dihydro-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
Property Insights of 2-Methoxyethyl 3-[2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-2-oxoethyl]-3,4-dihydro-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
The XLogP value of 3.88052 indicates that 2-Methoxyethyl 3-[2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-2-oxoethyl]-3,4-dihydro-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methoxyethyl 3-[2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-2-oxoethyl]-3,4-dihydro-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, 2-Methoxyethyl 3-[2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-2-oxoethyl]-3,4-dihydro-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Methoxyethyl 3-[2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-2-oxoethyl]-3,4-dihydro-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
The CAS number of 2-Methoxyethyl 3-[2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-2-oxoethyl]-3,4-dihydro-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate is 811841-96-0.
What is the molecular formula of 2-Methoxyethyl 3-[2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-2-oxoethyl]-3,4-dihydro-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
The molecular formula of 2-Methoxyethyl 3-[2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-2-oxoethyl]-3,4-dihydro-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate is C20H17ClF3N3O5S.
What is the molecular weight of 2-Methoxyethyl 3-[2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-2-oxoethyl]-3,4-dihydro-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
The molecular weight of 2-Methoxyethyl 3-[2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-2-oxoethyl]-3,4-dihydro-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate is 503.05 g/mol.
Where can I buy 2-Methoxyethyl 3-[2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-2-oxoethyl]-3,4-dihydro-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
You can request a quote for 2-Methoxyethyl 3-[2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-2-oxoethyl]-3,4-dihydro-5-methyl-4-oxothieno[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 2-Methoxyethyl 3-[2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-2-oxoethyl]-3,4-dihydro-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxyethyl 3-[2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-2-oxoethyl]-3,4-dihydro-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.