ChemDiv3_007329
TL;DR: ChemDiv3_007329 (CAS 618403-06-8) is a chemical compound with molecular formula C16H22N2O3S2 and molecular weight 354.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(1,1-dioxothiolan-3-yl)-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone
Also Known As: ChemDiv3_007329, IDI1_025239, AF-399/41980871, 1-[3-(1,1-dioxothiolan-3-yl)-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone, BRD-A04394384-001-01-4
| Molecular Formula | C16H22N2O3S2 |
|---|---|
| Molecular Weight | 354.11 g/mol |
| LogP | 1.94 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 354.10718 |
| Heavy Atoms | 23 |
| Complexity | 753.62006 |
Chemical Identifiers
| CAS Number | 618403-06-8 |
|---|---|
| SMILES | CC(=O)N1CN(CC2=C1SC3=C2CCCC3)C4CCS(=O)(=O)C4 |
Product Overview
ChemDiv3_007329 (CAS 618403-06-8), with molecular formula C16H22N2O3S2 and molecular weight 354.11 g/mol. IUPAC: 1-[3-(1,1-dioxothiolan-3-yl)-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone.
Chemical Property Profile of ChemDiv3_007329
Property Insights of ChemDiv3_007329
The XLogP value of 1.94 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_007329. With a topological polar surface area (TPSA) of 57.69 Ų, ChemDiv3_007329 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_007329 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_007329?
The CAS number of ChemDiv3_007329 is 618403-06-8.
What is the molecular formula of ChemDiv3_007329?
The molecular formula of ChemDiv3_007329 is C16H22N2O3S2.
What is the molecular weight of ChemDiv3_007329?
The molecular weight of ChemDiv3_007329 is 354.11 g/mol.
Where can I buy ChemDiv3_007329?
You can request a quote for ChemDiv3_007329 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_007329?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_007329 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.