ChemDiv3_005596
TL;DR: ChemDiv3_005596 (CAS 851715-80-5) is a chemical compound with molecular formula C20H20O3S and molecular weight 340.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(4-methylphenyl)-2-oxo-4-thiophen-2-ylcyclohex-3-ene-1-carboxylate
Also Known As: ChemDiv3_005596, IDI1_023506, UPCMLD0ENAT5631770:001, BRD-A66238730-001-01-9, F0619-0054
| Molecular Formula | C20H20O3S |
|---|---|
| Molecular Weight | 340.11 g/mol |
| LogP | 4.37582 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.1133 |
| Heavy Atoms | 24 |
| Complexity | 756.69147 |
Chemical Identifiers
| CAS Number | 851715-80-5 |
|---|---|
| SMILES | CCOC(=O)C1C(CC(=CC1=O)C2=CC=CS2)C3=CC=C(C=C3)C |
Product Overview
ChemDiv3_005596 (CAS 851715-80-5), with molecular formula C20H20O3S and molecular weight 340.11 g/mol. IUPAC: ethyl 6-(4-methylphenyl)-2-oxo-4-thiophen-2-ylcyclohex-3-ene-1-carboxylate.
Chemical Property Profile of ChemDiv3_005596
Property Insights of ChemDiv3_005596
The XLogP value of 4.37582 indicates that ChemDiv3_005596 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, ChemDiv3_005596 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_005596 has 0 hydrogen bond donor(s) and 4 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_005596?
The CAS number of ChemDiv3_005596 is 851715-80-5.
What is the molecular formula of ChemDiv3_005596?
The molecular formula of ChemDiv3_005596 is C20H20O3S.
What is the molecular weight of ChemDiv3_005596?
The molecular weight of ChemDiv3_005596 is 340.11 g/mol.
Where can I buy ChemDiv3_005596?
You can request a quote for ChemDiv3_005596 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005596?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005596 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.