F0539-1794
TL;DR: F0539-1794 (CAS 449770-64-3) is a chemical compound with molecular formula C23H27N3O7S2 and molecular weight 521.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-O-ethyl 3-O-methyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
Also Known As: F0539-1794, 6-ethyl 3-methyl 2-[4-(pyrrolidine-1-sulfonyl)benzamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3,6-dicarboxylate, 6-ethyl 3-methyl 2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-3,6(7H)-dicarboxylate, 6-O-ethyl 3-O-methyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
| Molecular Formula | C23H27N3O7S2 |
|---|---|
| Molecular Weight | 521.13 g/mol |
| LogP | 3.0861 |
| Topological Polar Surface Area | 122.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 521.129 |
| Heavy Atoms | 35 |
| Complexity | 1232.5514 |
Chemical Identifiers
| CAS Number | 449770-64-3 |
|---|---|
| SMILES | CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 |
Product Overview
F0539-1794 (CAS 449770-64-3), with molecular formula C23H27N3O7S2 and molecular weight 521.13 g/mol. IUPAC: 6-O-ethyl 3-O-methyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate.
Chemical Property Profile of F0539-1794
Property Insights of F0539-1794
The XLogP value of 3.0861 indicates that F0539-1794 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.32 Ų falls within the moderate polarity range, balancing permeability and solubility for F0539-1794. Following Lipinski's Rule of Five, F0539-1794 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0539-1794?
The CAS number of F0539-1794 is 449770-64-3.
What is the molecular formula of F0539-1794?
The molecular formula of F0539-1794 is C23H27N3O7S2.
What is the molecular weight of F0539-1794?
The molecular weight of F0539-1794 is 521.13 g/mol.
Where can I buy F0539-1794?
You can request a quote for F0539-1794 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0539-1794?
Yes, KEHONG BIO provides custom synthesis services for F0539-1794 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.