ChemDiv3_002317
TL;DR: ChemDiv3_002317 (CAS 356587-48-9) is a chemical compound with molecular formula C19H18N2O2S2 and molecular weight 370.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-ethyl-10-phenacylsulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: ChemDiv3_002317, AB00093401-01, BRD-K98907657-001-01-8, 3-ethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 2-ethyl-3-phenacylsulfanyl-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-1-one
| Molecular Formula | C19H18N2O2S2 |
|---|---|
| Molecular Weight | 370.08 g/mol |
| LogP | 3.9416 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.08096 |
| Heavy Atoms | 25 |
| Complexity | 1005.6763 |
Chemical Identifiers
| CAS Number | 356587-48-9 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC=CC=C3)SC4=C2CCC4 |
Product Overview
ChemDiv3_002317 (CAS 356587-48-9), with molecular formula C19H18N2O2S2 and molecular weight 370.08 g/mol. IUPAC: 11-ethyl-10-phenacylsulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of ChemDiv3_002317
Property Insights of ChemDiv3_002317
The XLogP value of 3.9416 indicates that ChemDiv3_002317 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, ChemDiv3_002317 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_002317 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_002317?
The CAS number of ChemDiv3_002317 is 356587-48-9.
What is the molecular formula of ChemDiv3_002317?
The molecular formula of ChemDiv3_002317 is C19H18N2O2S2.
What is the molecular weight of ChemDiv3_002317?
The molecular weight of ChemDiv3_002317 is 370.08 g/mol.
Where can I buy ChemDiv3_002317?
You can request a quote for ChemDiv3_002317 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_002317?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_002317 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.