![methyl 2-(chloromethyl)-5-(2-methoxy-2-oxoethyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate structure](/static/products/854/854357-39-4.png)
methyl 2-(chloromethyl)-5-(2-methoxy-2-oxoethyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
TL;DR: methyl 2-(chloromethyl)-5-(2-methoxy-2-oxoethyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate (CAS 854357-39-4) is a chemical compound with molecular formula C12H11ClN2O5S and molecular weight 330.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(chloromethyl)-5-(2-methoxy-2-oxoethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
Also Known As: methyl 2-(chloromethyl)-5-(2-methoxy-2-oxoethyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate, methyl 2-(chloromethyl)-5-(2-methoxy-2-oxoethyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate, methyl 2-(chloromethyl)-5-(2-methoxy-2-oxoethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate, methyl 2-(chloromethyl)-5-(2-methoxy-2-oxo-ethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate, methyl 2-(chloromethyl)-5-(2-methoxy-2-oxoethyl)-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
| Molecular Formula | C12H11ClN2O5S |
|---|---|
| Molecular Weight | 330.01 g/mol |
| LogP | 1.2255 |
| Topological Polar Surface Area | 98.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.00772 |
| Heavy Atoms | 21 |
| Complexity | 766.8289 |
Chemical Identifiers
| CAS Number | 854357-39-4 |
|---|---|
| SMILES | COC(=O)CC1=C(SC2=C1C(=O)NC(=N2)CCl)C(=O)OC |
Product Overview
methyl 2-(chloromethyl)-5-(2-methoxy-2-oxoethyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate (CAS 854357-39-4), with molecular formula C12H11ClN2O5S and molecular weight 330.01 g/mol. IUPAC: methyl 2-(chloromethyl)-5-(2-methoxy-2-oxoethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate.
Chemical Property Profile of methyl 2-(chloromethyl)-5-(2-methoxy-2-oxoethyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Property Insights of methyl 2-(chloromethyl)-5-(2-methoxy-2-oxoethyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
The XLogP value of 1.2255 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(chloromethyl)-5-(2-methoxy-2-oxoethyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate. The TPSA of 98.35 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(chloromethyl)-5-(2-methoxy-2-oxoethyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, methyl 2-(chloromethyl)-5-(2-methoxy-2-oxoethyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate has 1 hydrogen bond donor(s) and 7 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 methyl 2-(chloromethyl)-5-(2-methoxy-2-oxoethyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate?
The CAS number of methyl 2-(chloromethyl)-5-(2-methoxy-2-oxoethyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate is 854357-39-4.
What is the molecular formula of methyl 2-(chloromethyl)-5-(2-methoxy-2-oxoethyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate?
The molecular formula of methyl 2-(chloromethyl)-5-(2-methoxy-2-oxoethyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate is C12H11ClN2O5S.
What is the molecular weight of methyl 2-(chloromethyl)-5-(2-methoxy-2-oxoethyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate?
The molecular weight of methyl 2-(chloromethyl)-5-(2-methoxy-2-oxoethyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate is 330.01 g/mol.
Where can I buy methyl 2-(chloromethyl)-5-(2-methoxy-2-oxoethyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate?
You can request a quote for methyl 2-(chloromethyl)-5-(2-methoxy-2-oxoethyl)-4-oxo-3,4-dihydrothieno[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 methyl 2-(chloromethyl)-5-(2-methoxy-2-oxoethyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(chloromethyl)-5-(2-methoxy-2-oxoethyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.