ChemDiv1_016955
TL;DR: ChemDiv1_016955 (CAS 6771-73-9) is a chemical compound with molecular formula C21H24N6O3S and molecular weight 440.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide
Also Known As: ChemDiv1_016955, 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide, 2-(5,6-Dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}acetamide
| Molecular Formula | C21H24N6O3S |
|---|---|
| Molecular Weight | 440.16 g/mol |
| LogP | 0.93484 |
| Topological Polar Surface Area | 100.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.16306 |
| Heavy Atoms | 31 |
| Complexity | 1165.0669 |
Chemical Identifiers
| CAS Number | 6771-73-9 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCC(=O)N3CCN(CC3)C4=CC=CC=N4)C |
Product Overview
ChemDiv1_016955 (CAS 6771-73-9), with molecular formula C21H24N6O3S and molecular weight 440.16 g/mol. IUPAC: 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide.
Chemical Property Profile of ChemDiv1_016955
Property Insights of ChemDiv1_016955
The XLogP value of 0.93484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_016955. The TPSA of 100.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_016955. Following Lipinski's Rule of Five, ChemDiv1_016955 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 ChemDiv1_016955?
The CAS number of ChemDiv1_016955 is 6771-73-9.
What is the molecular formula of ChemDiv1_016955?
The molecular formula of ChemDiv1_016955 is C21H24N6O3S.
What is the molecular weight of ChemDiv1_016955?
The molecular weight of ChemDiv1_016955 is 440.16 g/mol.
Where can I buy ChemDiv1_016955?
You can request a quote for ChemDiv1_016955 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_016955?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_016955 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.