![ethyl 2-(1-chloroethyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate structure](/static/products/7330/733030-80-3.webp)
ethyl 2-(1-chloroethyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
TL;DR: ethyl 2-(1-chloroethyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate (CAS 733030-80-3) is a chemical compound with molecular formula C12H13ClN2O3S and molecular weight 300.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1-chloroethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
Also Known As: ethyl 2-(1-chloroethyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate, ethyl 2-(1-chloroethyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate, ethyl 2-(1-chloroethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate, ethyl2-(1-chloroethyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
| Molecular Formula | C12H13ClN2O3S |
|---|---|
| Molecular Weight | 300.03 g/mol |
| LogP | 2.76952 |
| Topological Polar Surface Area | 72.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.03354 |
| Heavy Atoms | 19 |
| Complexity | 690.0747 |
Chemical Identifiers
| CAS Number | 733030-80-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)Cl)C |
Product Overview
ethyl 2-(1-chloroethyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate (CAS 733030-80-3), with molecular formula C12H13ClN2O3S and molecular weight 300.03 g/mol. IUPAC: ethyl 2-(1-chloroethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate.
Chemical Property Profile of ethyl 2-(1-chloroethyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
Property Insights of ethyl 2-(1-chloroethyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
The XLogP value of 2.76952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(1-chloroethyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate. The TPSA of 72.05 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(1-chloroethyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(1-chloroethyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate has 1 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 2-(1-chloroethyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate?
The CAS number of ethyl 2-(1-chloroethyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate is 733030-80-3.
What is the molecular formula of ethyl 2-(1-chloroethyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate?
The molecular formula of ethyl 2-(1-chloroethyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate is C12H13ClN2O3S.
What is the molecular weight of ethyl 2-(1-chloroethyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate?
The molecular weight of ethyl 2-(1-chloroethyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate is 300.03 g/mol.
Where can I buy ethyl 2-(1-chloroethyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate?
You can request a quote for ethyl 2-(1-chloroethyl)-5-methyl-4-oxo-3H,4H-thieno[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-(1-chloroethyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(1-chloroethyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.