ChemDiv3_008711
TL;DR: ChemDiv3_008711 (CAS 689262-62-2) is a chemical compound with molecular formula C23H29N3O2S2 and molecular weight 443.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
Also Known As: ChemDiv3_008711, IDI1_026621, BRD-A20325961-001-01-9, F0612-0310, 3-benzyl-2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6-methyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
| Molecular Formula | C23H29N3O2S2 |
|---|---|
| Molecular Weight | 443.17 g/mol |
| LogP | 4.2115 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.1701 |
| Heavy Atoms | 30 |
| Complexity | 960.9108 |
Chemical Identifiers
| CAS Number | 689262-62-2 |
|---|---|
| SMILES | CCC1CCCCN1C(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=C4)SC(C3)C |
Product Overview
ChemDiv3_008711 (CAS 689262-62-2), with molecular formula C23H29N3O2S2 and molecular weight 443.17 g/mol. IUPAC: 3-benzyl-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
Chemical Property Profile of ChemDiv3_008711
Property Insights of ChemDiv3_008711
The XLogP value of 4.2115 indicates that ChemDiv3_008711 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, ChemDiv3_008711 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_008711 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 ChemDiv3_008711?
The CAS number of ChemDiv3_008711 is 689262-62-2.
What is the molecular formula of ChemDiv3_008711?
The molecular formula of ChemDiv3_008711 is C23H29N3O2S2.
What is the molecular weight of ChemDiv3_008711?
The molecular weight of ChemDiv3_008711 is 443.17 g/mol.
Where can I buy ChemDiv3_008711?
You can request a quote for ChemDiv3_008711 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_008711?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_008711 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.