ChemDiv1_007558
TL;DR: ChemDiv1_007558 (CAS 441718-61-2) is a chemical compound with molecular formula C19H19N3O4S and molecular weight 385.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methyl-3-[2-(4-methylanilino)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
Also Known As: ChemDiv1_007558, ethyl 5-methyl-4-oxo-3-(2-oxo-2-(p-tolylamino)ethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate, ETHYL 5-METHYL-3-{[(4-METHYLPHENYL)CARBAMOYL]METHYL}-4-OXO-3H,4H-THIENO[2,3-D]PYRIMIDINE-6-CARBOXYLATE, ethyl 5-methyl-3-{2-[(4-methylphenyl)amino]-2-oxoethyl}-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
| Molecular Formula | C19H19N3O4S |
|---|---|
| Molecular Weight | 385.11 g/mol |
| LogP | 2.89024 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.10962 |
| Heavy Atoms | 27 |
| Complexity | 1066.9885 |
Chemical Identifiers
| CAS Number | 441718-61-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC(=O)NC3=CC=C(C=C3)C)C |
Product Overview
ChemDiv1_007558 (CAS 441718-61-2), with molecular formula C19H19N3O4S and molecular weight 385.11 g/mol. IUPAC: ethyl 5-methyl-3-[2-(4-methylanilino)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate.
Chemical Property Profile of ChemDiv1_007558
Property Insights of ChemDiv1_007558
The XLogP value of 2.89024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_007558. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_007558. Following Lipinski's Rule of Five, ChemDiv1_007558 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 ChemDiv1_007558?
The CAS number of ChemDiv1_007558 is 441718-61-2.
What is the molecular formula of ChemDiv1_007558?
The molecular formula of ChemDiv1_007558 is C19H19N3O4S.
What is the molecular weight of ChemDiv1_007558?
The molecular weight of ChemDiv1_007558 is 385.11 g/mol.
Where can I buy ChemDiv1_007558?
You can request a quote for ChemDiv1_007558 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007558?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007558 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.