ChemDiv2_006134
TL;DR: ChemDiv2_006134 (CAS 689262-58-6) is a chemical compound with molecular formula C21H25N3O2S2 and molecular weight 415.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-6-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
Also Known As: ChemDiv2_006134, IDI1_004849, F0612-0306, 3-benzyl-6-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one, 3-benzyl-6-methyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
| Molecular Formula | C21H25N3O2S2 |
|---|---|
| Molecular Weight | 415.14 g/mol |
| LogP | 3.4329 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.13882 |
| Heavy Atoms | 28 |
| Complexity | 907.857 |
Chemical Identifiers
| CAS Number | 689262-58-6 |
|---|---|
| SMILES | CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)N3CCCCC3)CC4=CC=CC=C4 |
Product Overview
ChemDiv2_006134 (CAS 689262-58-6), with molecular formula C21H25N3O2S2 and molecular weight 415.14 g/mol. IUPAC: 3-benzyl-6-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
Chemical Property Profile of ChemDiv2_006134
Property Insights of ChemDiv2_006134
The XLogP value of 3.4329 indicates that ChemDiv2_006134 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, ChemDiv2_006134 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv2_006134 has 0 hydrogen bond donor(s) and 5 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_006134?
The CAS number of ChemDiv2_006134 is 689262-58-6.
What is the molecular formula of ChemDiv2_006134?
The molecular formula of ChemDiv2_006134 is C21H25N3O2S2.
What is the molecular weight of ChemDiv2_006134?
The molecular weight of ChemDiv2_006134 is 415.14 g/mol.
Where can I buy ChemDiv2_006134?
You can request a quote for ChemDiv2_006134 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006134?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006134 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.