ChemDiv1_020790
TL;DR: ChemDiv1_020790 (CAS 330188-80-2) is a chemical compound with molecular formula C18H20N2O6S and molecular weight 392.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(furan-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
Also Known As: ChemDiv1_020790, F1298-0233, 3,6-diethyl 2-(furan-2-amido)-4H,5H,6H,7H-thieno[2,3-c]pyridine-3,6-dicarboxylate, A1918/0080615, diethyl 2-(furan-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
| Molecular Formula | C18H20N2O6S |
|---|---|
| Molecular Weight | 392.10 g/mol |
| LogP | 3.2847 |
| Topological Polar Surface Area | 98.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.10422 |
| Heavy Atoms | 27 |
| Complexity | 842.40906 |
Chemical Identifiers
| CAS Number | 330188-80-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=O)C3=CC=CO3 |
Product Overview
ChemDiv1_020790 (CAS 330188-80-2), with molecular formula C18H20N2O6S and molecular weight 392.10 g/mol. IUPAC: diethyl 2-(furan-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate.
Chemical Property Profile of ChemDiv1_020790
Property Insights of ChemDiv1_020790
The XLogP value of 3.2847 indicates that ChemDiv1_020790 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.08 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_020790. Following Lipinski's Rule of Five, ChemDiv1_020790 has 1 hydrogen bond donor(s) and 7 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 ChemDiv1_020790?
The CAS number of ChemDiv1_020790 is 330188-80-2.
What is the molecular formula of ChemDiv1_020790?
The molecular formula of ChemDiv1_020790 is C18H20N2O6S.
What is the molecular weight of ChemDiv1_020790?
The molecular weight of ChemDiv1_020790 is 392.10 g/mol.
Where can I buy ChemDiv1_020790?
You can request a quote for ChemDiv1_020790 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020790?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020790 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.