![methyl 2-(3-(2-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamido)acetate structure](/static/products/440/440654-46-6.png)
methyl 2-(3-(2-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamido)acetate
TL;DR: methyl 2-(3-(2-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamido)acetate (CAS 440654-46-6) is a chemical compound with molecular formula C18H16ClN3O4S and molecular weight 405.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-[(2-chlorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate
Also Known As: methyl 2-(3-(2-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamido)acetate, methyl 2-[[3-[(2-chlorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate, methyl N-{[3-(2-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl]carbonyl}glycinate
| Molecular Formula | C18H16ClN3O4S |
|---|---|
| Molecular Weight | 405.06 g/mol |
| LogP | 2.37092 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.055 |
| Heavy Atoms | 27 |
| Complexity | 1089.8905 |
Chemical Identifiers
| CAS Number | 440654-46-6 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC=C3Cl)C(=O)NCC(=O)OC |
Product Overview
methyl 2-(3-(2-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamido)acetate (CAS 440654-46-6), with molecular formula C18H16ClN3O4S and molecular weight 405.06 g/mol. IUPAC: methyl 2-[[3-[(2-chlorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate.
Chemical Property Profile of methyl 2-(3-(2-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamido)acetate
Property Insights of methyl 2-(3-(2-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamido)acetate
The XLogP value of 2.37092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(3-(2-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamido)acetate. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(3-(2-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamido)acetate. Following Lipinski's Rule of Five, methyl 2-(3-(2-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamido)acetate has 1 hydrogen bond donor(s) and 6 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-(3-(2-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamido)acetate?
The CAS number of methyl 2-(3-(2-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamido)acetate is 440654-46-6.
What is the molecular formula of methyl 2-(3-(2-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamido)acetate?
The molecular formula of methyl 2-(3-(2-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamido)acetate is C18H16ClN3O4S.
What is the molecular weight of methyl 2-(3-(2-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamido)acetate?
The molecular weight of methyl 2-(3-(2-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamido)acetate is 405.06 g/mol.
Where can I buy methyl 2-(3-(2-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamido)acetate?
You can request a quote for methyl 2-(3-(2-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamido)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(3-(2-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamido)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(3-(2-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamido)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.