ChemDiv3_008755
TL;DR: ChemDiv3_008755 (CAS 689262-63-3) is a chemical compound with molecular formula C23H28N4O4S2 and molecular weight 488.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[(3-benzyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate
Also Known As: ChemDiv3_008755, IDI1_026665, F0612-0313, BRD-A31544383-001-01-2, ethyl 4-[2-({3-benzyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetyl]piperazine-1-carboxylate
| Molecular Formula | C23H28N4O4S2 |
|---|---|
| Molecular Weight | 488.16 g/mol |
| LogP | 2.7211 |
| Topological Polar Surface Area | 84.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.1552 |
| Heavy Atoms | 33 |
| Complexity | 1068.1213 |
Chemical Identifiers
| CAS Number | 689262-63-3 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=C4)SC(C3)C |
Product Overview
ChemDiv3_008755 (CAS 689262-63-3), with molecular formula C23H28N4O4S2 and molecular weight 488.16 g/mol. IUPAC: ethyl 4-[2-[(3-benzyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate.
Chemical Property Profile of ChemDiv3_008755
Property Insights of ChemDiv3_008755
The XLogP value of 2.7211 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_008755. The TPSA of 84.74 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_008755. Following Lipinski's Rule of Five, ChemDiv3_008755 has 0 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 ChemDiv3_008755?
The CAS number of ChemDiv3_008755 is 689262-63-3.
What is the molecular formula of ChemDiv3_008755?
The molecular formula of ChemDiv3_008755 is C23H28N4O4S2.
What is the molecular weight of ChemDiv3_008755?
The molecular weight of ChemDiv3_008755 is 488.16 g/mol.
Where can I buy ChemDiv3_008755?
You can request a quote for ChemDiv3_008755 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_008755?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_008755 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.