ChemDiv2_006255
TL;DR: ChemDiv2_006255 (CAS 689756-00-1) is a chemical compound with molecular formula C22H25N3O3S and molecular weight 411.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzyl-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl)-N-cyclopentylacetamide
Also Known As: ChemDiv2_006255, IDI1_004970, 2-{3-benzyl-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl}-N-cyclopentylacetamide, F6548-1464, 2-(3-benzyl-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl)-N-cyclopentylacetamide
| Molecular Formula | C22H25N3O3S |
|---|---|
| Molecular Weight | 411.16 g/mol |
| LogP | 2.94864 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.16165 |
| Heavy Atoms | 29 |
| Complexity | 1167.9612 |
Chemical Identifiers
| CAS Number | 689756-00-1 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=O)N2CC(=O)NC3CCCC3)CC4=CC=CC=C4)C |
Product Overview
ChemDiv2_006255 (CAS 689756-00-1), with molecular formula C22H25N3O3S and molecular weight 411.16 g/mol. IUPAC: 2-(3-benzyl-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl)-N-cyclopentylacetamide.
Chemical Property Profile of ChemDiv2_006255
Property Insights of ChemDiv2_006255
The XLogP value of 2.94864 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_006255. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006255. Following Lipinski's Rule of Five, ChemDiv2_006255 has 1 hydrogen bond donor(s) and 4 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 ChemDiv2_006255?
The CAS number of ChemDiv2_006255 is 689756-00-1.
What is the molecular formula of ChemDiv2_006255?
The molecular formula of ChemDiv2_006255 is C22H25N3O3S.
What is the molecular weight of ChemDiv2_006255?
The molecular weight of ChemDiv2_006255 is 411.16 g/mol.
Where can I buy ChemDiv2_006255?
You can request a quote for ChemDiv2_006255 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006255?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006255 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.