AB00685822-01
TL;DR: AB00685822-01 (CAS 896679-98-4) is a chemical compound with molecular formula C18H19N3O8S and molecular weight 437.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(5-nitrofuran-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
Also Known As: AB00685822-01, F1298-0237, 3,6-diethyl 2-(5-nitrofuran-2-amido)-4H,5H,6H,7H-thieno[2,3-c]pyridine-3,6-dicarboxylate, diethyl 2-(5-nitrofuran-2-carboxamido)-4,5-dihydrothieno[2,3-c]pyridine-3,6(7H)-dicarboxylate, diethyl 2-[(5-nitrofuran-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
| Molecular Formula | C18H19N3O8S |
|---|---|
| Molecular Weight | 437.09 g/mol |
| LogP | 3.1929 |
| Topological Polar Surface Area | 141.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.0893 |
| Heavy Atoms | 30 |
| Complexity | 995.7187 |
Chemical Identifiers
| CAS Number | 896679-98-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=O)C3=CC=C(O3)[N+](=O)[O-] |
Product Overview
AB00685822-01 (CAS 896679-98-4), with molecular formula C18H19N3O8S and molecular weight 437.09 g/mol. IUPAC: diethyl 2-[(5-nitrofuran-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate.
Chemical Property Profile of AB00685822-01
Property Insights of AB00685822-01
The XLogP value of 3.1929 indicates that AB00685822-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.22 Ų indicates high polarity, suggesting AB00685822-01 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AB00685822-01 has 1 hydrogen bond donor(s) and 9 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 AB00685822-01?
The CAS number of AB00685822-01 is 896679-98-4.
What is the molecular formula of AB00685822-01?
The molecular formula of AB00685822-01 is C18H19N3O8S.
What is the molecular weight of AB00685822-01?
The molecular weight of AB00685822-01 is 437.09 g/mol.
Where can I buy AB00685822-01?
You can request a quote for AB00685822-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685822-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685822-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.