ChemDiv2_006130
TL;DR: ChemDiv2_006130 (CAS 27463-77-0) is a chemical compound with molecular formula C21H19NO3S and molecular weight 365.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-oxo-3-phenyl-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate
Also Known As: ChemDiv2_006130, IDI1_004845, BAS 12519694, ethyl 4-oxo-3-phenyl-6-(thiophen-2-yl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate, ethyl 4-oxo-3-phenyl-6-(2-thienyl)-5,6,7-trihydroindole-2-carboxylate
| Molecular Formula | C21H19NO3S |
|---|---|
| Molecular Weight | 365.11 g/mol |
| LogP | 4.8326 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.10855 |
| Heavy Atoms | 26 |
| Complexity | 941.30884 |
Chemical Identifiers
| CAS Number | 27463-77-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=CC=C4 |
Product Overview
ChemDiv2_006130 (CAS 27463-77-0), with molecular formula C21H19NO3S and molecular weight 365.11 g/mol. IUPAC: ethyl 4-oxo-3-phenyl-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate.
Chemical Property Profile of ChemDiv2_006130
Property Insights of ChemDiv2_006130
The XLogP value of 4.8326 indicates that ChemDiv2_006130 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.16 Ų, ChemDiv2_006130 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv2_006130 has 1 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 ChemDiv2_006130?
The CAS number of ChemDiv2_006130 is 27463-77-0.
What is the molecular formula of ChemDiv2_006130?
The molecular formula of ChemDiv2_006130 is C21H19NO3S.
What is the molecular weight of ChemDiv2_006130?
The molecular weight of ChemDiv2_006130 is 365.11 g/mol.
Where can I buy ChemDiv2_006130?
You can request a quote for ChemDiv2_006130 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006130?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006130 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.